broad_id
string | depmap_id
string | ccle_name
string | screen_id
string | upper_limit
int64 | lower_limit
float64 | slope
float64 | r2
float64 | auc
float64 | ec50
float64 | ic50
float64 | name
string | moa
string | target
string | disease.area
string | indication
string | smiles
string | phase
string | passed_str_profiling
bool | row_name
string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BRD-K59317601-001-05-5 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.76884 | -0.749509 | -0.035298 | 0.981549 | 0.000444 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000967 |
BRD-K59369769-001-22-9 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.683029 | 0.987879 | 0.58133 | 1 | 0.468854 | null | tozasertib | Aurora kinase inhibitor, Bcr-Abl kinase inhibitor, FLT3 inhibitor, JAK inhibitor | AURKA, AURKB, AURKC, LCK | null | null | CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1, CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 | Phase 2 | true | ACH-000967 |
BRD-K60866521-001-07-1 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.63636 | -1.428103 | 0.08558 | 0.958274 | 0.001583 | null | idelalisib | PI3K inhibitor | PIK3CA, PIK3CB, PIK3CD, PIK3CG | hematologic malignancy | chronic lymphocytic leukemia (CLL) | CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 | Launched | true | ACH-000967 |
BRD-K60997853-001-02-3 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | -470.699691 | 0.541374 | 0.088342 | 0.92686 | 5,027,855.420143 | null | PHA-848125 | CDK inhibitor, growth factor receptor inhibitor | CDK2, CDK4, CDK7, NTRK1 | null | null | CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 | Phase 2 | true | ACH-000967 |
BRD-K61192372-001-08-9 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.709895 | -0.51568 | 0.143115 | 0.838779 | 0.147971 | null | capecitabine | DNA synthesis inhibitor, thymidylate synthase inhibitor | TYMS | oncology | breast cancer, colorectal cancer | CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O | Launched | true | ACH-000967 |
BRD-K62008436-001-23-9 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.892413 | -5.494963 | -0.014072 | 0.977921 | 0.000279 | null | paclitaxel | tubulin polymerization inhibitor | BCL2, MAP2, MAP4, MAPT, NR1I2, TLR4, TUBB, TUBB1 | oncology | ovarian cancer, breast cancer, non-small cell lung cancer (NSCLC) | CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 | Launched | true | ACH-000967 |
BRD-K62196610-001-01-6 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.838658 | -2.965978 | -0.154873 | 0.919498 | 0.077313 | null | AVN-944 | inosine monophosphate dehydrogenase inhibitor | IMPDH1, IMPDH2 | null | null | CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1 | Phase 2 | true | ACH-000967 |
BRD-K62200014-003-10-5 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.90114 | -4.391319 | 0.222883 | 0.944516 | 0.141501 | null | anagrelide | phosphodiesterase inhibitor | PDE3A | hematology, hematologic malignancy | thrombocythemia, myeloproliferative neoplasms | Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl, Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl, Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl | Launched | true | ACH-000967 |
BRD-K62391742-001-09-7 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.94756 | -2.271907 | 0.047238 | 0.964703 | 0.419104 | null | venetoclax | BCL inhibitor | BCL2 | hematologic malignancy | chronic lymphocytic leukemia (CLL) | CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1, CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1, CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 | Launched | true | ACH-000967 |
BRD-K62627508-001-01-5 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.921694 | -1.384693 | -0.112649 | 0.958068 | 0.110307 | null | idasanutlin | MDM inhibitor | MDM2, TP53 | null | null | COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O | Phase 3 | true | ACH-000967 |
BRD-K63504947-001-14-7 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.947351 | -0.016973 | -0.066192 | 0.970336 | 265,109.012357 | null | semaxanib | VEGFR inhibitor | FGFR1, FLT1, KDR, KIT, PDGFRA, PDGFRB, RET | null | null | Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 | Phase 3 | true | ACH-000967 |
BRD-K63712959-001-01-8 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.819071 | -0.061118 | -0.166464 | 0.888291 | 207.978432 | null | temoporfin | radical formation stimulant | null | oncology | head and neck squamous cell carcinoma (HNSCC) | Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1[nH]2 | Launched | true | ACH-000967 |
BRD-K64052750-001-22-5 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.17728 | 0.005471 | -0.029888 | 1 | 1.625279 | null | gefitinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | Launched | true | ACH-000967 |
BRD-K64881305-001-03-7 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.266081 | 0.084223 | -0.062871 | 1 | 0.015353 | null | ispinesib | kinesin inhibitor | KIF11 | null | null | CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 | Phase 2 | true | ACH-000967 |
BRD-K66175015-001-12-4 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | -0.08428 | 4.027176 | 0.556292 | 0.966283 | 8.070184 | 7.763987 | afatinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | oncology | non-small cell lung cancer (NSCLC) | CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | Launched | true | ACH-000967 |
BRD-K67844266-003-01-9 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.656075 | 6.349617 | 0.562822 | 1 | 0.143732 | null | pevonedistat | nedd activating enzyme inhibitor | NAE1, UBA3 | null | null | NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12 | Phase 2 | true | ACH-000967 |
BRD-K69001009-001-02-8 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.787296 | -1.80687 | -0.035014 | 0.933739 | 0.01251 | null | golvatinib | VEGFR inhibitor | KDR, MET | null | null | CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)c(F)c2)ccn1 | Phase 2 | true | ACH-000967 |
BRD-K69776681-001-03-8 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.790957 | -3.685819 | 0.017477 | 0.956316 | 0.004635 | null | volasertib | PLK inhibitor | PLK1 | null | null | CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O, CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O | Phase 3 | true | ACH-000967 |
BRD-K70301465-001-05-9 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.036115 | -0.945649 | -0.02489 | 1 | 0.008698 | null | ibrutinib | Bruton's tyrosine kinase (BTK) inhibitor | BLK, BMX, BTK | hematologic malignancy | chronic lymphocytic leukemia (CLL), mantle cell lymphoma (MCL), Waldenstrom's macroglobulinemia (WM) | Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C, Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C | Launched | true | ACH-000967 |
BRD-K70401845-001-15-7 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.564624 | 0.259024 | 0.179355 | 1 | 2.038158 | null | erlotinib | EGFR inhibitor | EGFR, NR1I2 | oncology | non-small cell lung cancer (NSCLC), pancreatic cancer | COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC, COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC | Launched | true | ACH-000967 |
BRD-K73838513-003-05-5 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.217842 | 3.651958 | 0.524295 | 0.927006 | 4.084212 | 4.776993 | cinacalcet | calcium channel activator | CASR | endocrinology, nephrology, oncology | hyperparathyroidism, chronic kidney disease (CKD), parathyroid carcinoma, hypercalcemia | C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 | Launched | true | ACH-000967 |
BRD-K74514084-003-09-2 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.688744 | 0.38279 | -0.001524 | 0.938527 | 7.091552 | null | pazopanib | KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | CSF1R, FGF1, FGFR1, FGFR3, FLT1, FLT4, ITK, KDR, KIT, PDGFRA, PDGFRB, SH2B3 | oncology | renal cell carcinoma (RCC), soft tissue sarcoma (STS) | CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1, CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 | Launched | true | ACH-000967 |
BRD-K75009076-001-02-1 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.091019 | 7.267475 | 0.558341 | 0.878051 | 2.719961 | 2.796251 | SCH-900776 | CHK inhibitor | CDK2, CHEK1 | null | null | Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1, Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1 | Phase 2 | true | ACH-000967 |
BRD-K76210423-001-01-6 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.88591 | 0.174656 | -0.06656 | 0.950461 | 0.388604 | null | resiquimod | toll-like receptor agonist | TLR7, TLR8 | null | null | CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O, CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O | Phase 3 | true | ACH-000967 |
BRD-K76239644-001-02-6 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.907487 | -0.051416 | -0.034032 | 0.943032 | 789.335794 | null | BMS-690514 | EGFR inhibitor, VEGFR inhibitor | EGFR, ERBB2, FLT3, KDR | null | null | COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1, COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 | Phase 2 | true | ACH-000967 |
BRD-K76674262-001-03-3 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.264053 | 2.315999 | 0.732627 | 0.687276 | 0.161839 | 0.22383 | homoharringtonine | protein synthesis inhibitor | RPL3 | hematologic malignancy | chronic myeloid leukemia (CML) | COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC | Launched | true | ACH-000967 |
BRD-K76908866-001-07-6 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.994077 | -0.336528 | -0.023852 | 0.996251 | 0.550826 | null | CP-724714 | EGFR inhibitor, protein tyrosine kinase inhibitor | ERBB2 | null | null | COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 | Phase 2 | true | ACH-000967 |
BRD-K77625799-001-07-7 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.298997 | 1.947319 | 0.112661 | 1 | 0.714537 | null | vandetanib | EGFR inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor | EGFR, EPHA1, EPHA10, EPHA2, EPHA3, EPHA4, EPHA5, EPHA6, EPHA7, EPHA8, EPHB1, EPHB2, EPHB3, EPHB4, EPHB6, ERBB2, ERBB3, ERBB4, FLT1, FLT4, KDR, PTK6, RET, SRC, TEK, VEGFA | oncology | medullary thyroid cancer (MTC) | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 | Launched | true | ACH-000967 |
BRD-K78431006-001-15-1 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.876602 | -3.05558 | -0.114429 | 0.920629 | 0.313523 | null | crizotinib | ALK tyrosine kinase receptor inhibitor | ALK, MET | oncology | non-small cell lung cancer (NSCLC) | C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl, C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl, C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl | Launched | true | ACH-000967 |
BRD-K79254416-001-21-8 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.396331 | 2.271813 | 0.228034 | 1 | 0.160351 | null | decitabine | DNA methyltransferase inhibitor | DNMT1, DNMT3A | hematologic malignancy, hematology | myelodysplastic diseases (MDS), anemia, chronic myeloid leukemia (CML) | Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | Launched | true | ACH-000967 |
BRD-K81016934-001-02-0 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.08855 | -0.111497 | -0.019202 | 1 | 0.055995 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000967 |
BRD-K81418486-001-44-2 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.699808 | 0.471888 | 0.231132 | 1 | 4.173533 | null | vorinostat | HDAC inhibitor | HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC5, HDAC6, HDAC8, HDAC9 | hematologic malignancy | cutaneous T-cell lymphoma (CTCL) | ONC(=O)CCCCCCC(=O)Nc1ccccc1, ONC(=O)CCCCCCC(=O)Nc1ccccc1, ONC(=O)CCCCCCC(=O)Nc1ccccc1 | Launched | true | ACH-000967 |
BRD-K81473043-001-19-5 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 4.96504 | 2.301614 | 0.282426 | 1 | 1.538097 | null | tanespimycin | HSP inhibitor | HSP90AA1 | null | null | CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O | Phase 3 | true | ACH-000967 |
BRD-K82135108-001-04-3 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.099935 | 1.018218 | 0.472066 | 0.674135 | 0.305776 | 0.380636 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000967 |
BRD-K82746043-001-19-3 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.710732 | -6.150249 | 0.261119 | 0.876009 | 0.039075 | null | navitoclax | BCL inhibitor | BCL2, BCL2L1, BCL2L2 | null | null | CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1, CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 | Phase 2 | true | ACH-000967 |
BRD-K82818427-001-04-8 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.34012 | 0.391947 | 0.164161 | 1 | 0.118768 | null | batimastat | matrix metalloprotease inhibitor | ADAM28, ADAMTS5, MMP12, MMP16, MMP2, MMP8 | null | null | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO, CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO | Phase 3 | true | ACH-000967 |
BRD-K83029223-001-01-3 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.72704 | 0.281009 | -0.168559 | 0.789463 | 0.000036 | null | litronesib | kinesin-like spindle protein inhibitor | KIF11 | null | null | CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)c1ccccc1 | Phase 2 | true | ACH-000967 |
BRD-K83988098-001-02-0 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.742259 | -0.28786 | -0.02598 | 0.874279 | 0.001001 | null | alvespimycin | HSP inhibitor | HSP90AA1 | null | null | CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O | Phase 2 | true | ACH-000967 |
BRD-K85402309-043-01-9 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.807702 | -0.508211 | 0.071059 | 0.889098 | 0.189627 | null | dovitinib | EGFR inhibitor, FGFR inhibitor, FLT3 inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | CSF1R, EGFR, FGFR1, FGFR2, FGFR3, FLT1, FLT3, FLT4, INSR, KDR, KIT, PDGFRA, PDGFRB | null | null | CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O | Phase 3 | true | ACH-000967 |
BRD-K85606544-001-09-1 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.927269 | -1.499356 | 0.006407 | 0.94518 | 0.933743 | null | neratinib | EGFR inhibitor | EGFR, ERBB2, KDR | null | null | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C | Phase 3 | true | ACH-000967 |
BRD-K86118762-001-01-8 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.110693 | -0.014535 | -0.011269 | 1 | 338,062,076,427.113 | null | linsitinib | IGF-1 inhibitor | IGF1R, INSR, INSRR | null | null | C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12, C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 | Phase 3 | true | ACH-000967 |
BRD-K87737963-001-06-0 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.834849 | 1.213465 | -0.005302 | 0.93654 | 0.242174 | null | cyt387 | null | JAK1, JAK2, JAK3 | null | null | O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1, O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 | Phase 3 | true | ACH-000967 |
BRD-K87782578-001-01-4 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.721577 | -1.184875 | 0.061956 | 0.846402 | 0.129396 | null | AVL-292 | Bruton's tyrosine kinase (BTK) inhibitor | BTK, YES1 | null | null | COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 | Phase 2 | true | ACH-000967 |
BRD-K87909389-003-03-4 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.470754 | 0.681133 | 0.184403 | 0.746733 | 0.097727 | 6.311006 | alvocidib | CDK inhibitor | CDK1, CDK2, CDK4, CDK5, CDK6, CDK7, CDK8, CDK9, EGFR, PYGM | null | null | CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl, CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl | Phase 2 | true | ACH-000967 |
BRD-K88510285-001-17-8 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.118778 | 4.512896 | 0.837971 | 0.533859 | 0.014766 | 0.01568 | bortezomib | NFkB pathway inhibitor, proteasome inhibitor | PSMA1, PSMA2, PSMA3, PSMA4, PSMA5, PSMA6, PSMA7, PSMA8, PSMB1, PSMB10, PSMB11, PSMB2, PSMB3, PSMB4, PSMB5, PSMB6, PSMB7, PSMB8, PSMB9, PSMD1, PSMD2, RELA | hematologic malignancy | multiple myeloma, mantle cell lymphoma (MCL) | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O | Launched | true | ACH-000967 |
BRD-K92441787-001-04-1 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.818839 | -0.372733 | 0.060176 | 0.921992 | 0.030442 | null | bexarotene | retinoid receptor agonist | RXRA, RXRB, RXRG | hematologic malignancy | cutaneous T-cell lymphoma (CTCL) | Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C | Launched | true | ACH-000967 |
BRD-K92723993-001-17-4 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 13.927241 | 0.823559 | 0.1272 | 1 | 768.809087 | null | imatinib | Bcr-Abl kinase inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor | ABL1, CSF1R, DDR1, KIT, NTRK1, PDGFRA, PDGFRB, RET | hematologic malignancy, oncology | chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL), myelodysplastic diseases (MDS), aggressive systemic mastocytosis (ASM), hypereosinophilic syndrome (HES), chronic eosinophilic leukemia (CEL), dermatofibrosarcoma protuberans (DFSP), gastrointestinal stromal tumors (GIST) | CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 | Launched | true | ACH-000967 |
BRD-K95142244-001-01-5 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.011574 | 0.037382 | -0.027129 | 1 | 3.704893 | null | talazoparib | PARP inhibitor | PARP2 | null | null | Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 | Phase 3 | true | ACH-000967 |
BRD-K96123349-236-02-8 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.549829 | 1.746781 | 0.512733 | 1 | 0.024708 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000967 |
BRD-K98572433-001-02-9 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.145886 | 0.572495 | 0.191045 | 1 | 0.601857 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000967 |
BRD-K99113996-001-02-0 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.374395 | 2.182051 | 0.341012 | 1 | 0.147764 | null | AZD2014 | mTOR inhibitor | MTOR | null | null | CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C | Phase 2 | true | ACH-000967 |
BRD-K99616396-001-05-1 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.205103 | -0.120545 | -0.049272 | 1 | 0.589593 | null | motesanib | KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | FLT1, FLT4, KDR, KIT | null | null | CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 | Phase 3 | true | ACH-000967 |
BRD-K99749624-001-07-0 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 1.009124 | 0.340775 | -0.104359 | 1 | 0.091884 | null | linifanib | PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | CSF1, CSF1R, FLT1, FLT3, FLT4, KDR, KIT, PDGFRB, RET, TEK | null | null | Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 | Phase 3 | true | ACH-000967 |
BRD-M97302542-001-04-4 | ACH-000967 | SNUC2A_LARGE_INTESTINE | MTS010 | 1 | 0.754653 | -0.04847 | 0.02219 | 0.879721 | 0.034771 | null | dichloroacetate | pyruvate dehydrogenase kinase inhibitor | PDK1 | null | null | [Na].OC(=O)C(Cl)Cl, [Na].OC(=O)C(Cl)Cl | Phase 3 | true | ACH-000967 |
BRD-A25234499-001-19-1 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.955652 | -0.006771 | -0.04703 | 0.967694 | 159,334,203,441,382,500,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000 | null | aminoglutethimide | glucocorticoid receptor antagonist | CYP11A1, CYP19A1 | endocrinology, oncology | Cushing's syndrome, breast cancer | CCC1(CCC(=O)NC1=O)c1ccc(N)cc1, CCC1(CCC(=O)NC1=O)c1ccc(N)cc1, CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 | Launched | true | ACH-000968 |
BRD-A70858459-001-01-7 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.855986 | -0.326664 | 0.013429 | 0.961948 | 0.00191 | null | estramustine | DNA alkylating agent | ESR1, ESR2, MAP1A, MAP2 | oncology | prostate cancer | C[C@]12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CC[C@@H]2O | Launched | true | ACH-000968 |
BRD-A74914197-001-02-9 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.869176 | 0.585588 | 0.086207 | 1 | 0.159011 | null | pralatrexate | dihydrofolate reductase inhibitor | DHFR, TYMS | hematologic malignancy | peripheral T-cell lymphoma (PTCL) | Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 | Launched | true | ACH-000968 |
BRD-K02113016-001-19-6 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.18345 | 3.885753 | 0.339845 | 1 | 0.018001 | null | olaparib | PARP inhibitor | PARP1, PARP2 | oncology | ovarian cancer | Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1, Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 | Launched | true | ACH-000968 |
BRD-K02130563-001-11-4 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.16188 | 1.703668 | 0.850942 | 0.530629 | 0.043603 | 0.054859 | panobinostat | HDAC inhibitor | HDAC1, HDAC2, HDAC3, HDAC4, HDAC6, HDAC7, HDAC8, HDAC9 | hematologic malignancy | multiple myeloma | Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1, Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1, Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1, Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 | Launched | true | ACH-000968 |
BRD-K03390685-001-01-7 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.229097 | 10.918826 | 0.612618 | 0.728447 | 0.327622 | 0.346543 | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | true | ACH-000968 |
BRD-K03406345-001-21-1 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.720264 | 0.132167 | -0.065858 | 0.85946 | 0.072448 | null | azacitidine | DNA methyltransferase inhibitor | DNMT1, DNMT3A | hematologic malignancy, hematology | myelodysplastic diseases (MDS), anemia, chronic myelomonocytic leukemia (CMMoL) | Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1, Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1, Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 | Launched | true | ACH-000968 |
BRD-K03449891-001-08-6 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.244745 | 0.448922 | 0.501503 | 0.576454 | 0.037144 | 0.166083 | foretinib | VEGFR inhibitor | FLT1, FLT4, KDR, MET | null | null | COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 | Phase 2 | true | ACH-000968 |
BRD-K03765900-001-01-9 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | -1.753889 | 2.737394 | 0.460838 | 0.960143 | 13.187769 | 7.608021 | XL-647 | EGFR inhibitor, VEGFR inhibitor | EGFR, EPHB4, ERBB2, FLT4, KDR | null | null | COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C)C[C@H]2C1 | Phase 3 | true | ACH-000968 |
BRD-K05804044-001-18-5 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.29165 | 0.74293 | 0.416031 | 0.7876 | 0.636718 | 2.068622 | AZ-628 | RAF inhibitor | BRAF, RAF1 | null | null | Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 | Preclinical | true | ACH-000968 |
BRD-K06814349-304-02-7 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.547117 | 0.258801 | -0.103133 | 0.904212 | 22.228197 | null | fosbretabulin | tubulin polymerization inhibitor, VE-cadherin antagonist | CDH5 | null | null | COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O | Phase 3 | true | ACH-000968 |
BRD-K08542803-001-02-3 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.177928 | 3.147077 | 0.605788 | 0.694895 | 0.272748 | 0.313653 | gambogic-acid | caspase activator | BCL2 | null | null | CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C, CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C, CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C | Phase 2 | true | ACH-000968 |
BRD-K08547377-001-04-4 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 3.819072 | 0.041338 | -0.021595 | 1 | 298,226,457,121,743,150,000,000 | null | irinotecan | topoisomerase inhibitor | TOP1, TOP1MT | oncology | colorectal cancer | CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 | Launched | true | ACH-000968 |
BRD-K08703257-001-13-9 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.874821 | 0.803204 | 0.008982 | 0.934324 | 0.060873 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000968 |
BRD-K08799216-001-05-3 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.56464 | 2.095425 | 0.178744 | 1 | 1.596142 | null | pelitinib | EGFR inhibitor | EGFR | null | null | CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C | Phase 2 | true | ACH-000968 |
BRD-K09951645-001-11-8 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.542421 | 0.429715 | 0.163384 | 0.725433 | 0.022187 | null | dabrafenib | RAF inhibitor | BRAF, LIMK1, NEK11, RAF1, SIK1 | oncology | melanoma | CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F, CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F, CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F | Launched | true | ACH-000968 |
BRD-K11267252-001-05-1 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.007112 | -0.174689 | -0.061591 | 1 | 4.412387 | null | alectinib | ALK tyrosine kinase receptor inhibitor | ALK, MET | oncology | non-small cell lung cancer (NSCLC) | CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1, CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 | Launched | true | ACH-000968 |
BRD-K11630072-001-13-2 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.536546 | 2.184206 | -0.056817 | 0.846236 | 0.3998 | null | carmofur | thymidylate synthase inhibitor | TYMS | oncology | breast cancer, colorectal cancer | CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O, CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O, CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O | Launched | true | ACH-000968 |
BRD-K12184916-001-19-6 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.393123 | 3.199775 | 0.602033 | 0.721378 | 0.113071 | 0.183131 | NVP-BEZ235 | mTOR inhibitor, PI3K inhibitor | ATR, MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1, Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 | Phase 2 | true | ACH-000968 |
BRD-K12343256-001-14-7 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.516042 | 1.849325 | 0.623035 | 0.801098 | 0.185335 | null | trametinib | MEK inhibitor | MAP2K1, MAP2K2 | oncology | melanoma | CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O, CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O, CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O, CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O | Launched | true | ACH-000968 |
BRD-K13049116-001-04-0 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.716447 | -0.380671 | 0.059298 | 0.920168 | 0.003611 | null | BMS-754807 | IGF-1 inhibitor | AKT1, IGF1R | null | null | C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1, C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1, C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 | Phase 2 | true | ACH-000968 |
BRD-K13514097-001-04-6 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.614341 | -0.003747 | -0.012282 | 1 | 28,622,784,832,706,986,000 | null | everolimus | mTOR inhibitor | MTOR | oncology, neurology/psychiatry, genetics, urology | breast cancer, neuroendocrine tumors of pancreatic origin (PNET), renal cell carcinoma (RCC), subependymal giant cell astrocytoma (SEGA), tuberous sclerosis complex (TSC), renal angiomyolipoma | CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OCCO, CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OCCO | Launched | true | ACH-000968 |
BRD-K13662825-001-07-5 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.163726 | 2.457066 | 0.818368 | 0.712691 | 0.089226 | 0.10486 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000968 |
BRD-K14109347-001-03-4 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.918923 | -2.119952 | -0.130312 | 0.965409 | 0.038326 | null | LY2603618 | CHK inhibitor | CHEK1 | null | null | Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1, Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 | Phase 2 | true | ACH-000968 |
BRD-K15179879-001-03-2 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.269237 | 0.964095 | 0.744554 | 0.573705 | 0.034201 | 0.07627 | carfilzomib | proteasome inhibitor | PSMA1, PSMA2, PSMA3, PSMA4, PSMA5, PSMA6, PSMA7, PSMA8, PSMB1, PSMB10, PSMB11, PSMB2, PSMB3, PSMB4, PSMB5, PSMB6, PSMB7, PSMB8, PSMB9 | hematologic malignancy | multiple myeloma | CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 | Launched | true | ACH-000968 |
BRD-K15600710-066-05-8 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.142745 | 5.827431 | 0.566706 | 0.803446 | 1.060932 | 1.123916 | obatoclax | BCL inhibitor | BCL2 | null | null | COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1, COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 | Phase 3 | true | ACH-000968 |
BRD-K16730910-001-10-7 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.582178 | 0.303156 | 0.023909 | 0.740864 | 0.011759 | null | regorafenib | FGFR inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, RAF inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor | ABL1, BRAF, DDR2, EPHA2, FGFR1, FGFR2, FLT1, FLT4, FRK, KDR, KIT, MAPK11, NTRK1, PDGFRA, PDGFRB, RAF1, RET, TEK | oncology | colorectal cancer, gastrointestinal stromal tumors (GIST) | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 | Launched | true | ACH-000968 |
BRD-K17555800-003-02-3 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.76841 | -0.991952 | 0.039235 | 0.930739 | 0.010495 | null | talmapimod | p38 MAPK inhibitor | MAPK11, MAPK14 | null | null | C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C, C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C, C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C | Phase 2 | true | ACH-000968 |
BRD-K17610631-001-03-3 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.169518 | 0.342467 | 0.062109 | 1 | 0.251284 | null | indisulam | CDK inhibitor | CA1, CA12, CA14, CA2, CA6, CA7, CA9 | null | null | NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 | Phase 2 | true | ACH-000968 |
BRD-K17743125-001-08-4 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.247944 | 0.695255 | 0.301511 | 0.729559 | 0.341845 | 0.915559 | belinostat | HDAC inhibitor | HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9 | hematologic malignancy | peripheral T-cell lymphoma (PTCL) | ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 | Launched | true | ACH-000968 |
BRD-K17894950-001-14-3 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.994811 | 0.059078 | -0.01729 | 0.997124 | 0.001914 | null | indirubin | CDK inhibitor, glycogen synthase kinase inhibitor | CDK1, CDK5, GSK3A | null | null | O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O | Phase 2/Phase 3 | true | ACH-000968 |
BRD-K18961567-001-01-1 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.431708 | 0.323758 | 0.562248 | 0.68747 | 0.037223 | null | LY2801653 | MET inhibitor | MET | null | null | Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 | Phase 2 | true | ACH-000968 |
BRD-K19540840-001-09-4 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.109256 | -0.222696 | -0.014716 | 1 | 0.198767 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000968 |
BRD-K19687926-001-04-1 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.811308 | 0.910652 | 0.097282 | 1 | 36.019961 | null | lapatinib | EGFR inhibitor | EGFR, ERBB2 | oncology | breast cancer | CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1, CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1, CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 | Launched | true | ACH-000968 |
BRD-K19796430-001-05-6 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.786322 | 0.828964 | -0.009512 | 0.93221 | 0.504909 | null | sonidegib | smoothened receptor antagonist | SMO | oncology | basal cell carcinoma (BCC) | C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1, C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1 | Launched | true | ACH-000968 |
BRD-K22064724-001-01-8 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.135231 | 3.627773 | 0.824978 | 0.601016 | 0.113618 | 0.123937 | napabucasin | STAT inhibitor | STAT3 | null | null | CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O, CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O | Phase 3 | true | ACH-000968 |
BRD-K22822991-001-02-3 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.750534 | 0.023887 | -0.041968 | 0.869019 | 0.001169 | null | odanacatib | cathepsin inhibitor | CTSK | null | null | CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N | Phase 3 | true | ACH-000968 |
BRD-K23228615-001-02-8 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.367777 | 2.468562 | 0.348632 | 0.907227 | 2.436953 | 4.176932 | GDC-0980 | mTOR inhibitor, PI3K inhibitor | FGR, MAP3K9, MTOR, PIK3CA, PIK3CB, PIK3CD, PIK3CG, SYK | null | null | C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1, C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 | Phase 2 | true | ACH-000968 |
BRD-K23984367-001-07-5 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.201793 | 3.597608 | 0.678333 | 0.915766 | 3.616615 | 4.175263 | sorafenib | FLT3 inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, RAF inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor | BRAF, DDR2, FGFR1, FLT1, FLT3, FLT4, KDR, KIT, PDGFRB, RAF1, RET | oncology | renal cell carcinoma (RCC), thyroid cancer, hepatocellular carcinoma (HCC) | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1, CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 | Launched | true | ACH-000968 |
BRD-K28822270-001-03-7 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.256998 | 3.556293 | 0.73871 | 0.81229 | 0.90159 | 1.104393 | resminostat | HDAC inhibitor | HDAC1, HDAC3, HDAC6, HDAC8 | null | null | CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)\C=C\C(=O)NO, CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)\C=C\C(=O)NO | Phase 2 | true | ACH-000968 |
BRD-K29905972-001-06-3 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.652409 | -0.453961 | 0.129999 | 0.898079 | 0.005718 | null | axitinib | PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | CSF1, FLT1, FLT4, KDR, PLK4 | oncology | renal cell carcinoma (RCC) | CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1, CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1, CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1, CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1, CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 | Launched | true | ACH-000968 |
BRD-K30577245-001-05-0 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.829327 | 25.844835 | 0.010528 | 0.944849 | 0.027155 | null | docetaxel | tubulin polymerization inhibitor | BCL2, MAP2, MAP4, MAPT, NR1I2, TUBB, TUBB1 | oncology | breast cancer, non-small cell lung cancer (NSCLC), prostate cancer, gastric adenocarcinoma, head and neck squamous cell carcinoma (HNSCC) | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C | Launched | true | ACH-000968 |
BRD-K31698212-001-02-9 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.360202 | 0.23461 | 0.08445 | 1 | 0.166892 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000968 |
BRD-K31928526-001-02-1 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.743524 | 2.473931 | 0.195227 | 0.91728 | 0.43725 | null | barasertib | Aurora kinase inhibitor | AURKA, AURKB | null | null | CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(O)(O)=O | Phase 2/Phase 3 | true | ACH-000968 |
BRD-K33379087-001-07-5 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 0.48082 | 0.269254 | 0.078523 | 0.752474 | 0.115727 | null | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000968 |
BRD-K33610132-001-02-9 | ACH-000968 | COLO792_SKIN | MTS010 | 1 | 1.065301 | -3.646878 | -0.010509 | 1 | 2.048519 | null | rociletinib | EGFR inhibitor | EGFR | null | null | COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O | Phase 3 | true | ACH-000968 |
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