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-K58529924-001-01-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.668023 | 0.029204 | 0.028346 | 0.831001 | 0.023854 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000979 |
BRD-K58550667-001-08-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.209836 | 2.318793 | 0.823529 | 0.766673 | 0.035604 | 0.045021 | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | true | ACH-000979 |
BRD-K59317601-001-05-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.180646 | 0.740061 | 0.863999 | 0.514947 | 0.03028 | 0.055494 | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000979 |
BRD-K59369769-001-22-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.695595 | 6.770336 | 0.493518 | 0.933756 | 1.210074 | 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-000979 |
BRD-K60866521-001-07-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | -3.787911 | -2.144716 | 0.204075 | 0.983147 | 0.000183 | 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-000979 |
BRD-K60997853-001-02-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | -0.077818 | 0.975682 | 0.808167 | 0.808737 | 2.206419 | 1.902395 | 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-000979 |
BRD-K61192372-001-08-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.834971 | -0.164852 | -0.013103 | 0.861887 | 2,440.044233 | 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-000979 |
BRD-K62008436-001-23-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.131372 | 4.540655 | 0.737637 | 0.599525 | 0.007122 | 0.007617 | 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-000979 |
BRD-K62196610-001-01-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.377124 | 1.832651 | 0.601453 | 0.840157 | 0.833504 | 1.792617 | 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-000979 |
BRD-K62200014-003-10-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.689049 | 3.167527 | 0.409267 | 0.956681 | 2.598697 | 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-000979 |
BRD-K62391742-001-09-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.823318 | -4.113087 | 0.260805 | 0.875291 | 0.575715 | 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-000979 |
BRD-K63504947-001-14-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.128505 | -0.033344 | -0.022355 | 1 | 2.610191 | 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-000979 |
BRD-K63712959-001-01-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.954376 | -0.906419 | -0.17022 | 0.995991 | 0.000723 | 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-000979 |
BRD-K64052750-001-22-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.886007 | 6.19127 | 0.312004 | 0.927381 | 0.020656 | 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-000979 |
BRD-K64881305-001-03-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.250056 | 2.46438 | 0.82894 | 0.51112 | 0.017884 | 0.023694 | 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-000979 |
BRD-K66175015-001-12-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | -0.207756 | 0.695216 | 0.490791 | 0.813455 | 4.155856 | 2.521078 | 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-000979 |
BRD-K67844266-003-01-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.308684 | 3.040644 | 0.841594 | 0.706203 | 0.16175 | 0.221853 | 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-000979 |
BRD-K69001009-001-02-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.966804 | 0.20819 | -0.028282 | 0.984173 | 0.126681 | 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-000979 |
BRD-K69694239-001-02-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.135726 | 9.569532 | 0.880131 | 0.812181 | 1.213652 | 1.25449 | 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-000979 |
BRD-K69776681-001-03-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.198226 | 2.258331 | 0.165909 | 0.631299 | 0.11531 | 0.144198 | 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-000979 |
BRD-K70301465-001-05-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.884121 | 1.248393 | 0.213889 | 0.940429 | 0.068082 | 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-000979 |
BRD-K70401845-001-15-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.940595 | -0.095706 | -0.05296 | 0.972251 | 0.019236 | 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-000979 |
BRD-K73838513-003-05-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.464449 | 2.357519 | 0.605862 | 0.946877 | 3.999778 | null | 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-000979 |
BRD-K74514084-003-09-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.883717 | 0.15076 | 0.00378 | 0.930025 | 0.004483 | 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-000979 |
BRD-K75009076-001-02-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.078 | 6.339181 | 0.666138 | 0.875182 | 2.688093 | 2.760953 | 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-000979 |
BRD-K76239644-001-02-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.675584 | 0.232336 | 0.1124 | 0.807232 | 0.012787 | 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-000979 |
BRD-K76674262-001-03-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.190438 | 0.674721 | 0.663638 | 0.588899 | 0.071973 | 0.14648 | 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-000979 |
BRD-K76908866-001-07-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.904604 | 0.042763 | -0.010416 | 0.955921 | 2.767962 | 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-000979 |
BRD-K78431006-001-15-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.763852 | -0.010765 | -0.012327 | 0.882988 | 0.014691 | 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-000979 |
BRD-K79254416-001-21-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.328487 | 0.761695 | 0.601402 | 0.79305 | 0.574533 | 2.340797 | 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-000979 |
BRD-K81016934-001-02-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.959978 | -0.112894 | -0.002232 | 0.97685 | 1.379879 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000979 |
BRD-K81418486-001-44-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | -0.05879 | 0.754559 | 0.903729 | 0.747897 | 1.273324 | 1.098889 | 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-000979 |
BRD-K81473043-001-19-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.384302 | 4.638048 | 0.74584 | 0.746651 | 0.011521 | 0.015797 | 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-000979 |
BRD-K82135108-001-04-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.19044 | 2.878127 | 0.907282 | 0.559855 | 0.051115 | 0.060381 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000979 |
BRD-K82746043-001-19-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 15.548125 | 0.56048 | -0.109169 | 1 | 423,589,324,350.4357 | 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-000979 |
BRD-K82818427-001-04-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.019803 | -0.073717 | -0.000208 | 1 | 0.003314 | 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-000979 |
BRD-K83029223-001-01-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.245064 | 6.065547 | 0.841082 | 0.636454 | 0.005836 | 0.006522 | 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-000979 |
BRD-K83988098-001-02-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.418817 | 3.798195 | 0.468097 | 0.844377 | 0.011604 | 0.018727 | 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-000979 |
BRD-K85402309-043-01-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.841077 | 0.014547 | -0.036704 | 0.918368 | 0.001824 | 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-000979 |
BRD-K85606544-001-09-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.67453 | -0.356532 | 0.023808 | 0.93494 | 0.000725 | 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-000979 |
BRD-K86118762-001-01-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.986162 | -0.376026 | 0.00281 | 0.993312 | 0.062429 | 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-000979 |
BRD-K86972824-001-01-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.943171 | -1.232489 | 0.031496 | 0.986102 | 0.006261 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000979 |
BRD-K87737963-001-06-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.649003 | 4.10566 | 0.366208 | 0.954223 | 2.824283 | 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-000979 |
BRD-K87782578-001-01-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | -2.315455 | 2.853916 | 0.682938 | 0.980705 | 18.421458 | 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-000979 |
BRD-K87909389-003-03-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.105872 | 1.294676 | 0.797274 | 0.660967 | 0.253881 | 0.305104 | 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-000979 |
BRD-K88510285-001-17-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.126526 | 0.912027 | 0.81352 | 0.640129 | 0.046996 | 0.064713 | 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-000979 |
BRD-K89014967-001-04-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.702624 | 0.01054 | -0.005778 | 0.851412 | 0.088742 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000979 |
BRD-K92441787-001-04-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.858451 | -0.266718 | 0.038878 | 0.916894 | 0.349126 | 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-000979 |
BRD-K92723993-001-17-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.932122 | -0.012526 | -0.004078 | 0.961175 | 888,456,560.523961 | 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-000979 |
BRD-K95142244-001-01-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.954546 | 0.326274 | 0.025912 | 0.981036 | 0.266615 | 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-000979 |
BRD-K96123349-236-02-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.418353 | 1.332634 | 0.659467 | 0.879724 | 1.418202 | 5.524819 | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000979 |
BRD-K99113996-001-02-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.294836 | 0.715396 | 0.708603 | 0.819667 | 1.074934 | 3.733837 | 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-000979 |
BRD-K99616396-001-05-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.066151 | -0.101895 | -0.010211 | 1 | 1,765.996276 | 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-000979 |
BRD-K99749624-001-07-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.103553 | 0.236931 | 0.051882 | 1 | 0.001707 | 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-000979 |
BRD-M97302542-001-04-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.817385 | 2.006382 | 0.245336 | 0.922197 | 0.1601 | 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-000979 |
BRD-A25234499-001-19-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.9725 | -0.102022 | -0.041114 | 0.987069 | 0.023709 | 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-000982 |
BRD-A70858459-001-01-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.199255 | 0.199479 | -0.053293 | 1 | 0.127325 | 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-000982 |
BRD-A74914197-001-02-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.444067 | 0.944366 | 0.482166 | 0.559954 | 0.000243 | 0.002475 | 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-000982 |
BRD-K02113016-001-19-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.055666 | 0.322073 | 0.53445 | 0.571496 | 0.155439 | 0.224238 | 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-000982 |
BRD-K02130563-001-11-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.227287 | 3.660003 | 0.914645 | 0.567324 | 0.043654 | 0.051518 | 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-000982 |
BRD-K03390685-001-01-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.111241 | -0.081211 | -0.017568 | 1 | 0.2057 | 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-000982 |
BRD-K03406345-001-21-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.569173 | 0.988782 | 0.078763 | 0.798519 | 0.107464 | 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-000982 |
BRD-K03449891-001-08-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.133094 | 5.623604 | 0.521229 | 0.846385 | 0.572541 | 0.604935 | 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-000982 |
BRD-K03765900-001-01-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.191183 | 1.143735 | 0.486249 | 0.879842 | 2.850423 | 4.343895 | 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-000982 |
BRD-K05804044-001-18-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 57.948177 | 0.543663 | -0.010749 | 1 | 498,850,572,456,956,000,000,000,000,000,000,000,000,000,000,000,000 | null | 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-000982 |
BRD-K06814349-304-02-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.214129 | 3.816813 | 0.746748 | 0.79811 | 0.826536 | 0.956918 | 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-000982 |
BRD-K08109215-001-06-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.371063 | 0.880203 | 0.646345 | 0.729872 | 0.158039 | 0.736996 | 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-000982 |
BRD-K08542803-001-02-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.81309 | 0.305528 | 0.018241 | 0.904364 | 0.065251 | null | 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-000982 |
BRD-K08547377-001-04-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.286531 | 2.685098 | 0.636479 | 0.481368 | 0.008633 | 0.011853 | 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-000982 |
BRD-K08703257-001-13-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.914936 | 2.932083 | 0.017604 | 0.952983 | 0.046818 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000982 |
BRD-K08799216-001-05-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.401828 | 3.635494 | 0.323585 | 0.820002 | 0.539199 | 0.843755 | 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-000982 |
BRD-K09951645-001-11-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.658485 | 0.01262 | -0.014553 | 0.827211 | 0.011846 | 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-000982 |
BRD-K11267252-001-05-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.015109 | -0.163585 | -0.161333 | 1 | 3.374689 | 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-000982 |
BRD-K11630072-001-13-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.34581 | 0.562634 | 0.676767 | 0.745283 | 0.26855 | 2.173218 | 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-000982 |
BRD-K12184916-001-19-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.54304 | 1.695238 | 0.3944 | 0.761982 | 0.062086 | null | 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-000982 |
BRD-K12343256-001-14-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.553785 | 1.523383 | -0.081085 | 1 | 2.15026 | 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-000982 |
BRD-K13049116-001-04-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.37733 | 4.319249 | 0.551174 | 0.757499 | 0.228342 | 0.316132 | 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-000982 |
BRD-K13390322-001-06-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.158322 | 4.92856 | 0.72254 | 0.736949 | 0.481705 | 0.520393 | 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-000982 |
BRD-K13514097-001-04-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 2.413241 | 0.052578 | -0.104359 | 1 | 0.730696 | 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-000982 |
BRD-K13662825-001-07-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.148393 | 1.147424 | 0.72097 | 0.529194 | 0.011664 | 0.015853 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000982 |
BRD-K14109347-001-03-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.187821 | 2.834661 | 0.754688 | 0.671122 | 0.196491 | 0.23201 | 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-000982 |
BRD-K15179879-001-03-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.173623 | 3.003481 | 0.777044 | 0.559772 | 0.056854 | 0.065529 | 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-000982 |
BRD-K15600710-066-05-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.269075 | 1.191119 | 0.369431 | 0.605392 | 0.051951 | 0.099369 | 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-000982 |
BRD-K16730910-001-10-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 27.248812 | 0.1777 | -0.011898 | 1 | 18,038,999,328,339,536,000,000,000,000,000,000 | 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-000982 |
BRD-K17555800-003-02-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.785648 | 0.050586 | 0.016419 | 0.889687 | 0.024402 | 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-000982 |
BRD-K17610631-001-03-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.137028 | 0.680328 | 0.616569 | 0.59567 | 0.105121 | 0.168323 | 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-000982 |
BRD-K17743125-001-08-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.181457 | 4.8471 | 0.489561 | 0.864393 | 2.003543 | 2.198857 | 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-000982 |
BRD-K17894950-001-14-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.838291 | -2.656786 | 0.012623 | 0.94964 | 0.012527 | 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-000982 |
BRD-K18961567-001-01-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.33316 | 1.116647 | 0.569377 | 0.672192 | 0.084811 | 0.226635 | 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-000982 |
BRD-K19540840-001-09-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.464941 | 0.935339 | 0.343552 | 0.874227 | 1.167741 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000982 |
BRD-K19687926-001-04-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.023717 | 0.22081 | -0.01325 | 1 | 0.005052 | 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-000982 |
BRD-K19796430-001-05-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.095597 | 0.397416 | 0.00974 | 1 | 0.252803 | 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-000982 |
BRD-K22064724-001-01-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.156825 | 1.416507 | 0.873208 | 0.59972 | 0.099861 | 0.130253 | 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-000982 |
BRD-K22822991-001-02-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.036598 | -0.18157 | 0.010032 | 1 | 0.213255 | 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-000982 |
BRD-K23228615-001-02-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.396916 | 4.415379 | 0.615012 | 0.755186 | 0.194586 | 0.278246 | 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-000982 |
BRD-K23984367-001-07-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.877578 | -0.021121 | -0.029928 | 0.938827 | 0.073634 | null | 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-000982 |
BRD-K26026438-001-01-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.19141 | 1.212362 | 0.728827 | 0.730243 | 0.398956 | 0.594013 | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-000982 |
BRD-K26657438-001-15-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.943803 | 0.875143 | 0.014165 | 0.963569 | 0.017544 | null | imiquimod | interferon inducer, toll-like receptor agonist | TLR7, TLR8 | dermatology, infectious disease, oncology | actinic keratosis (AK), genital warts, basal cell carcinoma (BCC) | CC(C)Cn1cnc2c(N)nc3ccccc3c12, CC(C)Cn1cnc2c(N)nc3ccccc3c12, CC(C)Cn1cnc2c(N)nc3ccccc3c12 | Launched | true | ACH-000982 |
BRD-K28822270-001-03-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.126592 | 0.80146 | 0.43215 | 0.787506 | 1.206169 | 1.736235 | 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-000982 |
BRD-K29905972-001-06-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.143949 | 1.806516 | 0.620153 | 0.787771 | 0.90834 | 1.096178 | 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-000982 |
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