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-K54256913-001-08-7 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.623524 | 9.921919 | 0.397493 | 0.813959 | 0.082654 | null | MK-1775 | WEE1 kinase inhibitor | WEE1 | null | null | CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 | Phase 2 | true | ACH-000943 |
BRD-K54955827-001-02-2 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.536898 | 0.180385 | 0.098356 | 1 | 0.060639 | null | niraparib | PARP inhibitor | PARP1 | oncology | primary peritoneal cancer (PPC) | NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1, NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 | Launched | true | ACH-000943 |
BRD-K55187425-236-05-2 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.392596 | 3.957013 | 0.777234 | 0.572328 | 0.010776 | 0.015895 | rigosertib | cell cycle inhibitor, PLK inhibitor | PLK1 | null | null | COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 | Phase 3 | true | ACH-000943 |
BRD-K56981171-001-02-8 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.015741 | 0.019629 | -0.005111 | 1 | 726,327,619.203377 | null | brigatinib | ALK tyrosine kinase receptor inhibitor, EGFR inhibitor | ALK, EGFR | oncology | non-small cell lung cancer (NSCLC) | COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1, COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 | Launched | true | ACH-000943 |
BRD-K57080016-001-15-9 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.935433 | -0.23321 | -0.244647 | 0.958851 | 1.119821 | null | selumetinib | MEK inhibitor | MAP2K1 | null | null | Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO, Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO | Phase 3 | true | ACH-000943 |
BRD-K57169635-001-04-5 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.367796 | 0.870352 | -0.120608 | 1 | 0.011772 | null | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-000943 |
BRD-K58435339-001-03-0 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.234896 | 4.003037 | 0.829827 | 0.703778 | 0.233465 | 0.273563 | AT13387 | HSP antagonist | HSP90AA1 | null | null | CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O, CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O | Phase 2 | true | ACH-000943 |
BRD-K58529924-001-01-5 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.697489 | 0.673912 | 0.296742 | 0.864004 | 0.14051 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000943 |
BRD-K59317601-001-05-5 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.464069 | 0.259732 | 0.103063 | 1 | 3.15431 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000943 |
BRD-K59369769-001-22-9 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.717063 | 0.645077 | 0.261221 | 1 | 0.088728 | 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-000943 |
BRD-K60866521-001-07-1 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.774197 | -0.365264 | -0.011607 | 0.861314 | 0.380571 | 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-000943 |
BRD-K60997853-001-02-3 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.023971 | 2.833609 | 0.594413 | 0.948677 | 6.599871 | 6.715306 | 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-000943 |
BRD-K61192372-001-08-9 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.552355 | -0.032473 | -0.162292 | 0.779075 | 0.035124 | 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-000943 |
BRD-K62008436-001-23-9 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.36819 | 4.81563 | 0.334844 | 0.708344 | 0.007082 | 0.009341 | 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-000943 |
BRD-K62196610-001-01-6 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.920454 | -1.372811 | 0.092849 | 0.941477 | 0.786325 | 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-000943 |
BRD-K62200014-003-10-5 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.074528 | -0.028821 | -0.000389 | 1 | 3,257.943437 | 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-000943 |
BRD-K62391742-001-09-7 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.018033 | -0.111662 | -0.005608 | 1 | 1.191795 | 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-000943 |
BRD-K62627508-001-01-5 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.291405 | 1.281113 | 0.63365 | 0.788824 | 0.565366 | 1.118623 | 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-000943 |
BRD-K63504947-001-14-7 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.550589 | 0.358221 | 0.108984 | 1 | 15.048027 | 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-000943 |
BRD-K63712959-001-01-8 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.887288 | -7.188358 | 0.001405 | 0.962655 | 0.015197 | 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-000943 |
BRD-K64052750-001-22-5 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.559244 | 4.894544 | 0.035995 | 1 | 1.253101 | 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-000943 |
BRD-K64881305-001-03-7 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.44301 | 0.344763 | 0.05125 | 0.867307 | 4.44575 | 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-000943 |
BRD-K66175015-001-12-4 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | -0.486043 | 1.402054 | 0.440612 | 0.917278 | 9.149337 | 5.636853 | 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-000943 |
BRD-K67844266-003-01-9 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.41977 | 4.183856 | 0.168974 | 0.741908 | 0.133435 | 0.206632 | 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-000943 |
BRD-K69001009-001-02-8 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.954534 | 1.449882 | 0.081302 | 1 | 9.806174 | 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-000943 |
BRD-K69694239-001-02-2 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.212524 | 5.39584 | 0.758081 | 0.772748 | 0.607739 | 0.673387 | bardoxolone-methyl | nuclear factor erythroid derived, like (NRF2) activator | PPARG, STAT3 | null | null | COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 | Phase 3 | true | ACH-000943 |
BRD-K70301465-001-05-9 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.160953 | -0.094017 | -0.075663 | 1 | 487.155805 | 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-000943 |
BRD-K70401845-001-15-7 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.434341 | 2.844583 | 0.415395 | 1 | 0.247858 | 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-000943 |
BRD-K73838513-003-05-5 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | -0.015177 | 2.715516 | 0.69071 | 0.952512 | 7.21032 | 7.131346 | 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-000943 |
BRD-K74514084-003-09-2 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.813689 | 0.145425 | 0.002412 | 0.867333 | 0.000121 | 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-000943 |
BRD-K75009076-001-02-1 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.066802 | 0.507192 | 0.741993 | 0.690028 | 0.566429 | 0.75153 | 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-000943 |
BRD-K76210423-001-01-6 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.892058 | 0.204461 | 0.042086 | 0.952615 | 0.285418 | 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-000943 |
BRD-K76239644-001-02-6 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.590511 | -1.119618 | 0.249125 | 0.904138 | 0.0055 | 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-000943 |
BRD-K76674262-001-03-3 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.205127 | 1.808437 | 0.648712 | 0.609211 | 0.084708 | 0.113432 | 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-000943 |
BRD-K76908866-001-07-6 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.790301 | -0.314155 | -0.046003 | 0.897246 | 0.06716 | 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-000943 |
BRD-K77625799-001-07-7 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.689813 | -2.228765 | 0.153138 | 0.873707 | 0.031719 | 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-000943 |
BRD-K78431006-001-15-1 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 20.412851 | 0.938289 | -0.019395 | 1 | 24,394,518.218507 | 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-000943 |
BRD-K79254416-001-21-8 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.662738 | -0.700483 | 0.396113 | 0.834054 | 0.07191 | 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-000943 |
BRD-K81016934-001-02-0 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.25004 | -0.057733 | -0.074856 | 1 | 0.003302 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000943 |
BRD-K81418486-001-44-2 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 2.644125 | 2.995989 | -0.146707 | 1 | 23.813107 | 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-000943 |
BRD-K81473043-001-19-5 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.132875 | 2.158241 | 0.563163 | 0.891001 | 0.191011 | 0.220403 | 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-000943 |
BRD-K82135108-001-04-3 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.071215 | 0.971342 | 0.602315 | 0.789497 | 0.166226 | 0.194715 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000943 |
BRD-K82746043-001-19-3 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.427636 | 1.749305 | 0.309956 | 1 | 0.121069 | 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-000943 |
BRD-K82818427-001-04-8 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.3858 | 1.014532 | 0.124591 | 1 | 2.025508 | 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-000943 |
BRD-K83029223-001-01-3 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.502657 | 3.269186 | 0.16088 | 0.710039 | 0.00218 | 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-000943 |
BRD-K83988098-001-02-0 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.167403 | 13.453536 | 0.67772 | 0.812442 | 0.017528 | 0.018067 | 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-000943 |
BRD-K85402309-043-01-9 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.887045 | -0.650561 | -0.012289 | 0.947106 | 0.028876 | 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-000943 |
BRD-K85606544-001-09-1 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.740511 | -0.790592 | 0.007096 | 0.871117 | 0.075518 | 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-000943 |
BRD-K86118762-001-01-8 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.100118 | -0.838308 | 0.057675 | 1 | 0.252513 | 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-000943 |
BRD-K86972824-001-01-4 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 7.781339 | 1.749972 | -0.189308 | 1 | 8,872.740582 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000943 |
BRD-K87737963-001-06-0 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.323604 | 0.660613 | 0.18491 | 1 | 0.075334 | 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-000943 |
BRD-K87782578-001-01-4 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.985348 | -0.914158 | -0.096006 | 0.994353 | 0.024884 | 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-000943 |
BRD-K87909389-003-03-4 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.174729 | 3.783267 | 0.323906 | 0.858976 | 0.604143 | 0.676853 | 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-000943 |
BRD-K88510285-001-17-8 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.144698 | 0.983413 | 0.618792 | 0.482314 | 0.0069 | 0.009766 | 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-000943 |
BRD-K89014967-001-04-3 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.045636 | -0.062924 | -0.016791 | 1 | 0.344072 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000943 |
BRD-K92441787-001-04-1 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.949888 | -2.731391 | -0.003423 | 0.975187 | 0.074518 | 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-000943 |
BRD-K92723993-001-17-4 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.971282 | -0.029798 | -0.004189 | 0.978608 | 342,481,802,077,542.5 | 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-000943 |
BRD-K95142244-001-01-5 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.320406 | 0.070769 | -0.025228 | 1 | 0.050782 | 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-000943 |
BRD-K96123349-236-02-8 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.089706 | -0.110712 | -0.26211 | 1 | 8.058287 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000943 |
BRD-K98572433-001-02-9 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | -0.036872 | 2.43656 | 0.330678 | 0.970387 | 10.148692 | 9.856619 | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000943 |
BRD-K99113996-001-02-0 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 1.952284 | 9.152352 | 0.808355 | 1 | 0.156342 | 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-000943 |
BRD-K99616396-001-05-1 | ACH-000943 | RKO_LARGE_INTESTINE | MTS010 | 1 | 0.84754 | -7.07472 | 0.169789 | 0.875119 | 1.72815 | 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-000943 |
BRD-A25234499-001-19-1 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.861267 | 0.641029 | 0.042899 | 0.919509 | 0.033238 | 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-000945 |
BRD-A70858459-001-01-7 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.411792 | 0.172262 | 0.190379 | 0.826852 | 16.442206 | 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-000945 |
BRD-A74914197-001-02-9 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 1.120562 | -0.212989 | -0.052079 | 1 | 0.172942 | 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-000945 |
BRD-K02113016-001-19-6 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.919696 | -1.562127 | 0.04374 | 0.958808 | 0.088571 | 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-000945 |
BRD-K02130563-001-11-4 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.132587 | 4.953448 | 0.795876 | 0.720954 | 0.440701 | 0.468994 | 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-000945 |
BRD-K03390685-001-01-7 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.844245 | 1.086827 | 0.23811 | 0.940018 | 0.241685 | null | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | true | ACH-000945 |
BRD-K03406345-001-21-1 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 1.230526 | 0.32852 | 0.047999 | 1 | 0.7308 | 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-000945 |
BRD-K03449891-001-08-6 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 9.050667 | 3.012278 | -0.005823 | 1 | 945.138096 | null | 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-000945 |
BRD-K03765900-001-01-9 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 1.242173 | 5.12557 | -0.095322 | 1 | 0.076889 | null | 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-000945 |
BRD-K06814349-304-02-7 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.409457 | 1.665677 | 0.70482 | 0.853588 | 0.911687 | 2.543186 | 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-000945 |
BRD-K08109215-001-06-4 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.722315 | 0.45012 | 0.231067 | 0.911544 | 0.763587 | null | I-BET-762 | bromodomain inhibitor | BRD2, BRD3, BRD4 | null | null | CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 | Phase 2 | true | ACH-000945 |
BRD-K08542803-001-02-3 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.018779 | 1.297855 | 0.80657 | 0.667284 | 0.376271 | 0.387535 | 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-000945 |
BRD-K08547377-001-04-4 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.050229 | 1.80523 | 0.754018 | 0.815263 | 1.542836 | 1.636008 | 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-000945 |
BRD-K08703257-001-13-9 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.85864 | 0.339657 | -0.02935 | 0.983913 | 86.214224 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000945 |
BRD-K08799216-001-05-3 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | -0.054411 | 3.043951 | 0.788049 | 0.94095 | 6.226501 | 6.018743 | 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-000945 |
BRD-K09951645-001-11-8 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.748474 | 0.336275 | 0.202841 | 0.911102 | 0.681007 | 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-000945 |
BRD-K11267252-001-05-1 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 1.00483 | 0.079605 | -0.0213 | 1 | 0.011865 | 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-000945 |
BRD-K11630072-001-13-2 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.387348 | 4.594653 | 0.86538 | 0.869122 | 1.257905 | 1.739857 | 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-000945 |
BRD-K12184916-001-19-6 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.486268 | 1.56735 | 0.551543 | 0.632072 | 0.009251 | 0.091681 | 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-000945 |
BRD-K12343256-001-14-7 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.723083 | 2.545967 | 0.706957 | 0.920239 | 0.611185 | 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-000945 |
BRD-K13049116-001-04-0 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.685654 | 0.524992 | 0.512856 | 0.896041 | 0.559808 | 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-000945 |
BRD-K13390322-001-06-3 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.150661 | 9.278342 | 0.81365 | 0.755789 | 0.613975 | 0.638157 | AT-7519 | CDK inhibitor | CDK1, CDK2, CDK4, CDK5, CDK6, CDK9 | null | null | Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 | Phase 2 | true | ACH-000945 |
BRD-K13514097-001-04-6 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 1.181276 | -0.117231 | 0.044328 | 1 | 0.121897 | 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-000945 |
BRD-K13662825-001-07-5 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.062075 | 2.118029 | 0.875822 | 0.561991 | 0.026938 | 0.028679 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000945 |
BRD-K14109347-001-03-4 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.526686 | 4.295103 | 0.378897 | 0.926153 | 2.20076 | 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-000945 |
BRD-K15179879-001-03-2 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.041851 | 1.042692 | 0.788841 | 0.605723 | 0.186688 | 0.203014 | 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-000945 |
BRD-K15600710-066-05-8 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.168627 | 1.314493 | 0.759501 | 0.832129 | 1.469435 | 2.009357 | 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-000945 |
BRD-K16730910-001-10-7 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.703964 | 0.514889 | 0.073343 | 0.915583 | 1.014333 | 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-000945 |
BRD-K17555800-003-02-3 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.836368 | -1.820842 | 0.255156 | 0.95486 | 0.008834 | 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-000945 |
BRD-K17610631-001-03-3 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.636494 | 1.414792 | 0.562057 | 0.923372 | 1.303581 | 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-000945 |
BRD-K17743125-001-08-4 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.6396 | 0.21542 | 0.032728 | 0.814659 | 0.05852 | null | 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-000945 |
BRD-K17894950-001-14-3 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.902538 | 3.25696 | 0.116736 | 0.954809 | 0.111106 | 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-000945 |
BRD-K19540840-001-09-4 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.828402 | -1.583971 | -0.212324 | 0.97845 | 0.001869 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000945 |
BRD-K19687926-001-04-1 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 1.547617 | 4.129497 | 0.683292 | 1 | 1.422512 | 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-000945 |
BRD-K19796430-001-05-6 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.964463 | -2.860324 | 0.085621 | 0.982568 | 0.071249 | 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-000945 |
BRD-K22064724-001-01-8 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.020298 | 3.988037 | 0.808968 | 0.884185 | 3.183395 | 3.216702 | 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-000945 |
BRD-K22822991-001-02-3 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.767649 | -0.758731 | -0.022258 | 0.9977 | 0.00002 | 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-000945 |
BRD-K23228615-001-02-8 | ACH-000945 | NCIH650_LUNG | MTS010 | 1 | 0.281091 | 1.271441 | 0.652354 | 0.914084 | 3.84664 | 7.365688 | 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-000945 |
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