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-K85402309-043-01-9 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.889229 | -1.39779 | 0.0818 | 0.951572 | 0.02308 | 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-000978 |
BRD-K85606544-001-09-1 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.860707 | -1.905081 | -0.049912 | 0.903496 | 0.508265 | 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-000978 |
BRD-K86118762-001-01-8 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.835004 | -0.498027 | 0.374436 | 0.916091 | 0.086253 | 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-000978 |
BRD-K86972824-001-01-4 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.939287 | -0.413152 | -0.002932 | 0.95664 | 1.366931 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000978 |
BRD-K87737963-001-06-0 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.917175 | -0.310781 | 0.014053 | 0.938979 | 3.721948 | 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-000978 |
BRD-K87782578-001-01-4 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 1.240929 | -0.05718 | -0.041317 | 1 | 261,201,777.239111 | 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-000978 |
BRD-K87909389-003-03-4 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.805781 | -8.959955 | 0.318944 | 0.830123 | 0.077993 | null | 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-000978 |
BRD-K88510285-001-17-8 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.290367 | 0.703599 | 0.434997 | 0.632988 | 0.016367 | 0.0563 | 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-000978 |
BRD-K89014967-001-04-3 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 5.365092 | 1.129483 | 0.803977 | 1 | 6.54687 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000978 |
BRD-K92723993-001-17-4 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 1.434239 | 0.576277 | 0.043127 | 1 | 21.612246 | 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-000978 |
BRD-K95142244-001-01-5 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 2.405137 | 12.51142 | 0.767128 | 1 | 0.149053 | 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-000978 |
BRD-K96123349-236-02-8 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.96463 | -1.373599 | -0.477928 | 0.987425 | 0.0191 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000978 |
BRD-K98572433-001-02-9 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.641676 | -0.631118 | 0.051499 | 0.930718 | 0.002259 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000978 |
BRD-K99113996-001-02-0 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.825331 | -1.482092 | 0.001228 | 0.881424 | 0.446053 | 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-000978 |
BRD-K99616396-001-05-1 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.806944 | -0.22778 | 0.03527 | 0.895511 | 0.173486 | 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-000978 |
BRD-K99749624-001-07-0 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 1.232561 | -0.000234 | -0.005031 | 1 | 0.008746 | 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-000978 |
BRD-M97302542-001-04-4 | ACH-000978 | EN_ENDOMETRIUM | MTS010 | 1 | 0.858714 | 7.213672 | 0.202621 | 0.956694 | 0.510683 | 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-000978 |
BRD-A25234499-001-19-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.924805 | 3.347424 | 0.03798 | 0.955154 | 0.030647 | 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-000979 |
BRD-A70858459-001-01-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.933114 | -5.191988 | 0.06027 | 0.967289 | 0.070228 | 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-000979 |
BRD-A74914197-001-02-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.597461 | 1.378905 | 0.704634 | 0.797577 | 0.004746 | 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-000979 |
BRD-K02113016-001-19-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.802379 | -1.765387 | 0.252472 | 0.926562 | 0.022445 | 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-000979 |
BRD-K02130563-001-11-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.18897 | 2.176865 | 0.857815 | 0.443833 | 0.012868 | 0.016003 | 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-000979 |
BRD-K03390685-001-01-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.404499 | 1.715008 | 0.446131 | 0.87859 | 1.410505 | 3.703391 | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | true | ACH-000979 |
BRD-K03406345-001-21-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.046586 | -0.407469 | -0.083144 | 1 | 0.813039 | 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-000979 |
BRD-K03449891-001-08-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | -0.261044 | 1.871329 | 0.435233 | 0.965383 | 12.627025 | 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-000979 |
BRD-K03765900-001-01-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.356641 | 0.147199 | 0.227246 | 0.720359 | 0.50205 | 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-000979 |
BRD-K05804044-001-18-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.154409 | 5.349663 | 0.126162 | 1 | 0.068123 | 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-000979 |
BRD-K06814349-304-02-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.158363 | 4.191373 | 0.727354 | 0.788538 | 0.873098 | 0.95615 | 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-000979 |
BRD-K08109215-001-06-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.020082 | -0.101732 | -0.045196 | 1 | 0.939847 | 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-000979 |
BRD-K08542803-001-02-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.047059 | 4.211583 | 0.751931 | 0.73702 | 0.6869 | 0.703213 | 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-000979 |
BRD-K08547377-001-04-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.091225 | 2.204352 | 0.8445 | 0.602505 | 0.143394 | 0.157116 | 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-000979 |
BRD-K08703257-001-13-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.900356 | 0.271856 | -0.161207 | 0.962782 | 0.680228 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000979 |
BRD-K08799216-001-05-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.133837 | 6.758779 | 0.636193 | 0.955314 | 6.0923 | 6.379684 | 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-000979 |
BRD-K09951645-001-11-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.181893 | 0.18473 | -0.117765 | 1 | 15.280112 | 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-000979 |
BRD-K11267252-001-05-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.221736 | 0.278222 | 0.049551 | 1 | 0.078567 | 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-000979 |
BRD-K11630072-001-13-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.788541 | 0.997044 | 0.148575 | 0.932713 | 0.477301 | 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-000979 |
BRD-K12184916-001-19-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.124122 | 0.000251 | -0.115838 | 0.562044 | 0.055546 | 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-000979 |
BRD-K12343256-001-14-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.627645 | 4.161626 | 0.504425 | 0.899491 | 0.728352 | 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-000979 |
BRD-K13049116-001-04-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.983826 | -0.185593 | -0.003232 | 0.992212 | 0.05108 | 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-000979 |
BRD-K13390322-001-06-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.227939 | 10.938576 | 0.784362 | 0.83695 | 1.28798 | 1.361695 | 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-000979 |
BRD-K13514097-001-04-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.343847 | 0.019052 | -0.031858 | 0.653248 | 0.000196 | 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-000979 |
BRD-K13662825-001-07-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.19646 | 3.836755 | 0.814102 | 0.653518 | 0.038125 | 0.043422 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000979 |
BRD-K15179879-001-03-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.089422 | 3.473508 | 0.85983 | 0.540735 | 0.074862 | 0.079231 | 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-000979 |
BRD-K15600710-066-05-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.519455 | 5.045648 | 0.671331 | 0.819507 | 0.25646 | null | 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-000979 |
BRD-K16730910-001-10-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.886598 | -1.394577 | -0.039833 | 0.918183 | 0.681341 | 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-000979 |
BRD-K17555800-003-02-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.982508 | -0.239224 | -0.028859 | 0.989781 | 0.377573 | 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-000979 |
BRD-K17610631-001-03-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.343093 | 2.626992 | 0.753962 | 0.920372 | 3.040339 | 4.726304 | 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-000979 |
BRD-K17743125-001-08-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.007816 | 1.034096 | 0.922925 | 0.733333 | 0.787523 | 0.799613 | 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-000979 |
BRD-K17894950-001-14-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.20858 | -0.010253 | -0.049629 | 1 | 0.644891 | 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-000979 |
BRD-K18961567-001-01-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.029637 | 0.417331 | 0.268318 | 0.826902 | 7.976669 | 9.234388 | 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-000979 |
BRD-K19540840-001-09-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.43082 | 1.296355 | 0.319177 | 0.92753 | 3.457529 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000979 |
BRD-K19687926-001-04-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.884831 | -0.863662 | -0.014593 | 0.906775 | 2.0424 | 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-000979 |
BRD-K19796430-001-05-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.915957 | 2.262494 | 0.132278 | 0.942609 | 0.013234 | 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-000979 |
BRD-K22064724-001-01-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.055468 | 1.648335 | 0.9385 | 0.587198 | 0.14395 | 0.154594 | 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-000979 |
BRD-K22822991-001-02-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.918618 | 0.144765 | 0.004635 | 0.952927 | 0.008043 | 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-000979 |
BRD-K23228615-001-02-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.223128 | 1.295984 | 0.827658 | 0.767714 | 0.559305 | 0.882502 | 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-000979 |
BRD-K23984367-001-07-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.074609 | 0.18878 | -0.038768 | 1 | 0.597563 | 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-000979 |
BRD-K26657438-001-15-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.06391 | 0.168484 | -0.03685 | 1 | 9.712289 | 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-000979 |
BRD-K28822270-001-03-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.226224 | 0.886797 | 0.863485 | 0.648941 | 0.12978 | 0.255961 | 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-000979 |
BRD-K29905972-001-06-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.784015 | 2.415263 | 0.324224 | 0.864099 | 0.022287 | 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-000979 |
BRD-K30577245-001-05-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.292037 | 3.518739 | 0.762203 | 0.700247 | 0.010263 | 0.013168 | 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-000979 |
BRD-K31698212-001-02-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.083899 | 0.054212 | -0.017101 | 1 | 0.019771 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000979 |
BRD-K31928526-001-02-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.808531 | 0.244923 | 0.016975 | 0.912283 | 0.167695 | 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-000979 |
BRD-K33379087-001-07-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.250027 | 0.265572 | 0.206902 | 0.7633 | 2.090936 | null | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000979 |
BRD-K33610132-001-02-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.115281 | -0.105658 | 0.006462 | 1 | 0.055862 | 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-000979 |
BRD-K33622447-066-01-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.088429 | -2.729288 | 0.069217 | 1 | 0.957823 | null | abemaciclib | CDK inhibitor | CDK4, CDK6 | oncology | breast cancer | CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 | Launched | true | ACH-000979 |
BRD-K35520305-001-16-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.869998 | -0.023487 | -0.007007 | 0.93429 | 0.198008 | null | dacarbazine | DNA alkylating agent | PGD, POLA2 | oncology, hematologic malignancy | melanoma, Hodgkin's lymphoma | CN(C)\N=N\c1[nH]cnc1C(N)=O, CN(C)\N=N\c1[nH]cnc1C(N)=O | Launched | true | ACH-000979 |
BRD-K36627727-001-05-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.074367 | 0.135438 | -0.097515 | 1 | 0.505944 | null | tamibarotene | retinoid receptor agonist | RARA, RARB | hematologic malignancy | acute promyelocytic leukemia (APL) | CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 | Launched | true | ACH-000979 |
BRD-K36788280-001-01-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.792418 | -1.623697 | 0.228499 | 0.885239 | 0.130495 | null | ribociclib | CDK inhibitor | CDK4, CDK6 | oncology | breast cancer | CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1, CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1, CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1 | Launched | true | ACH-000979 |
BRD-K37379014-001-02-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.207722 | 5.942786 | 0.754037 | 0.854971 | 0.026403 | 0.028899 | filanesib | kinesin inhibitor, kinesin-like spindle protein inhibitor | KIF11 | null | null | CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F, CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F | Phase 3 | true | ACH-000979 |
BRD-K38332599-001-01-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.400777 | 0.754331 | 0.497816 | 0.792068 | 0.380131 | 3.243642 | uprosertib | AKT inhibitor | AKT1, AKT2, AKT3 | null | null | Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 | Phase 2 | true | ACH-000979 |
BRD-K38852836-001-02-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.291482 | 3.540519 | 0.833487 | 0.623141 | 0.014352 | 0.018374 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-000979 |
BRD-K41859756-001-06-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.302827 | 1.816224 | 0.852957 | 0.554462 | 0.00507 | 0.008463 | NVP-AUY922 | HSP inhibitor | HSP90AA1, HSP90AB1 | null | null | CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O, CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O, CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O | Phase 2 | true | ACH-000979 |
BRD-K42495768-001-01-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.85193 | -0.704565 | 0.099737 | 0.963898 | 0.00487 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000979 |
BRD-K42805893-001-04-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.868074 | 0.008797 | -0.003682 | 0.935229 | 4.756318 | null | osimertinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 | Launched | true | ACH-000979 |
BRD-K42828737-001-03-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.108256 | -7.865889 | 0.165592 | 1 | 0.002559 | null | sunitinib | FLT3 inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor | CSF1R, FGFR1, FLT1, FLT3, FLT4, KDR, KIT, PDGFRA, PDGFRB, RET | oncology | gastrointestinal stromal tumors (GIST), renal cell carcinoma (RCC), neuroendocrine tumors of pancreatic origin (PNET) | CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C, CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C, CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C, CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C | Launched | true | ACH-000979 |
BRD-K42898655-001-01-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.530462 | 3.939528 | 0.674265 | 0.736639 | 0.002702 | null | temsirolimus | mTOR inhibitor | MTOR | oncology | renal cell carcinoma (RCC) | 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]1OC(=O)C(C)(CO)CO | Launched | true | ACH-000979 |
BRD-K43389675-001-02-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | -0.096387 | 0.653108 | 0.700033 | 0.648428 | 0.540574 | 0.412703 | daunorubicin | RNA synthesis inhibitor, topoisomerase inhibitor | TOP2A, TOP2B | hematologic malignancy | acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL) | COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O | Launched | true | ACH-000979 |
BRD-K44227013-001-06-4 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.163466 | 10.894773 | 0.771825 | 0.867161 | 2.14153 | 2.220782 | ponatinib | Bcr-Abl kinase inhibitor, FLT3 inhibitor, PDGFR tyrosine kinase receptor inhibitor | ABL1, BCR, FGFR1, FGFR2, FGFR3, FGFR4, FLT3, KDR, KIT, LCK, LYN, PDGFRA, RET, SRC, TEK | hematologic malignancy | chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL) | CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1, CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 | Launched | true | ACH-000979 |
BRD-K44408410-001-17-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.267213 | 9.254093 | 0.624196 | 0.948398 | 5.050022 | 5.484925 | 2-methoxyestradiol | hypoxia inducible factor inhibitor | COMT, CYP19A1, CYP1A1, CYP1B1, HIF1A, TUBB | null | null | COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O | Phase 2 | true | ACH-000979 |
BRD-K44827188-001-06-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.429431 | 1.518707 | 0.189798 | 0.981043 | 13.530532 | null | vismodegib | hedgehog pathway inhibitor, smoothened receptor antagonist | SMO | oncology | basal cell carcinoma (BCC) | Clc1cc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)S(C)(=O)=O | Launched | true | ACH-000979 |
BRD-K46386702-001-02-1 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.692501 | -0.105797 | 0.004895 | 0.845672 | 0.083988 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-000979 |
BRD-K49328571-001-15-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.193502 | 0.623277 | 0.513099 | 0.683758 | 0.249894 | 0.547978 | dasatinib | Bcr-Abl kinase inhibitor, ephrin inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, src inhibitor, tyrosine kinase inhibitor | ABL1, ABL2, BLK, EPHA2, FGR, FRK, FYN, HCK, KIT, LCK, LYN, PDGFRB, SRC, SRMS, STAT5B, YES1 | hematologic malignancy | chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL) | Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1, Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 | Launched | true | ACH-000979 |
BRD-K49350383-001-14-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.10762 | -0.753621 | 0.118508 | 1 | 0.058413 | null | thioguanine | purine antagonist | IMPDH1, IMPDH2 | hematologic malignancy | acute myeloid leukemia (AML) | Nc1nc2nc[nH]c2c(=S)[nH]1, Nc1nc2nc[nH]c2c(=S)[nH]1, Nc1nc2nc[nH]c2c(=S)[nH]1 | Launched | true | ACH-000979 |
BRD-K50010139-001-01-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.849698 | 2.097755 | 0.038666 | 0.962163 | 0.871428 | null | poziotinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C, COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C | Phase 2 | true | ACH-000979 |
BRD-K50168500-001-07-9 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.89095 | 5.951588 | 0.229711 | 0.931882 | 0.023298 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000979 |
BRD-K51313569-001-07-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.213707 | 0.165539 | 0.063074 | 1 | 0.098093 | null | palbociclib | CDK inhibitor | CDK4, CDK6 | oncology | breast cancer | CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O, CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O | Launched | true | ACH-000979 |
BRD-K51791723-003-01-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.095194 | 5.475952 | 0.7035 | 0.855439 | 2.121478 | 2.204908 | P276-00 | CDK inhibitor | CDK1, CDK4, CDK9 | null | null | CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl | Phase 2 | true | ACH-000979 |
BRD-K51967704-001-03-6 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.353383 | 2.049374 | 0.866873 | 0.807315 | 0.555444 | 1.010686 | BIIB021 | HSP inhibitor | HSP90AA1 | null | null | COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C, COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C | Phase 2 | true | ACH-000979 |
BRD-K52313696-001-12-3 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.01967 | 1.04922 | -0.07643 | 1 | 0.102531 | null | tacedinaline | HDAC inhibitor | HDAC1 | null | null | CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N, CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N | Phase 3 | true | ACH-000979 |
BRD-K53414658-001-08-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 1.074334 | 0.002188 | -0.000689 | 1 | 632,403,848,203,685,600,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000 | null | tivozanib | VEGFR inhibitor | FLT1, FLT4, KDR, KIT, PDGFRA, PDGFRB | null | null | COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC | Phase 3 | true | ACH-000979 |
BRD-K53972329-001-07-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.825131 | 0.114569 | 0.027133 | 0.91917 | 0.302758 | null | ruxolitinib | JAK inhibitor | JAK1, JAK2, JAK3, TYK2 | hematologic malignancy, hematology | myelofibrosis, polycythemia vera | N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 | Launched | true | ACH-000979 |
BRD-K54256913-001-08-7 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.052707 | 1.47921 | 0.741327 | 0.849551 | 2.303087 | 2.48322 | 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-000979 |
BRD-K54955827-001-02-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.903293 | 1.290823 | 0.079917 | 0.962596 | 0.235694 | 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-000979 |
BRD-K54997624-001-06-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.791711 | 0.006061 | -0.051518 | 0.895387 | 0.017665 | null | alpelisib | PI3K inhibitor | PIK3CA, PIK3CB, PIK3CD, PIK3CG | null | null | Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F | Phase 3 | true | ACH-000979 |
BRD-K55187425-236-05-2 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.174696 | 12.034958 | 0.803027 | 0.589139 | 0.079765 | 0.082665 | 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-000979 |
BRD-K56343971-001-14-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.918221 | 1.282686 | 0.08701 | 0.946679 | 0.017685 | null | vemurafenib | RAF inhibitor | BRAF, RAF1 | oncology | melanoma | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F | Launched | true | ACH-000979 |
BRD-K56981171-001-02-8 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.222967 | 0.635353 | 0.643361 | 0.831697 | 1.951001 | 4.94166 | 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-000979 |
BRD-K57169635-001-04-5 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.732359 | 0.244542 | 0.024297 | 0.875151 | 0.144031 | null | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-000979 |
BRD-K58435339-001-03-0 | ACH-000979 | DU145_PROSTATE | MTS010 | 1 | 0.409716 | 1.191331 | 0.702639 | 0.614714 | 0.017482 | 0.073546 | 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-000979 |
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