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-K87737963-001-06-0 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 3.33196 | 2.311294 | -0.034086 | 1 | 2,818.725032 | 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-000926 |
BRD-K87782578-001-01-4 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.031698 | -0.10921 | -0.001132 | 1 | 0.7608 | 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-000926 |
BRD-K87909389-003-03-4 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.186712 | 0.598177 | 0.554548 | 0.662877 | 0.198086 | 0.432776 | 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-000926 |
BRD-K88510285-001-17-8 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.129321 | 5.490637 | 0.821664 | 0.727537 | 0.120083 | 0.126809 | 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-000926 |
BRD-K89014967-001-04-3 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.427963 | 2.48829 | 0.694594 | 0.769003 | 0.19864 | 0.43273 | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000926 |
BRD-K92441787-001-04-1 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.689977 | 1.838754 | 0.455813 | 1 | 1.410743 | 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-000926 |
BRD-K92723993-001-17-4 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.033505 | 0.042336 | -0.001436 | 1 | 0.01166 | 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-000926 |
BRD-K95142244-001-01-5 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.202507 | -2.785625 | 0.016149 | 1 | 6.102733 | 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-000926 |
BRD-K96123349-236-02-8 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.806794 | -1.117177 | -0.150484 | 0.909038 | 0.058682 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000926 |
BRD-K98572433-001-02-9 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.415107 | 0.540355 | 0.289207 | 0.723082 | 0.105238 | 2.801218 | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000926 |
BRD-K99113996-001-02-0 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.20951 | 0.038804 | -0.031248 | 1 | 13.053365 | 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-000926 |
BRD-K99616396-001-05-1 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | -1.213689 | -1.728051 | 0.208961 | 0.978293 | 0.000225 | 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-000926 |
BRD-M97302542-001-04-4 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.760061 | 0.570218 | 0.040601 | 0.983819 | 39.794456 | 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-000926 |
BRD-A25234499-001-19-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.888831 | 0.107735 | -0.020229 | 0.951088 | 0.771107 | 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-000927 |
BRD-A70858459-001-01-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 3.799712 | 3.954647 | 0.65298 | 1 | 8.274518 | 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-000927 |
BRD-A74914197-001-02-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 4.062262 | 0.525131 | 0.698749 | 1 | 0.266935 | 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-000927 |
BRD-K02113016-001-19-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.033198 | -0.309761 | -0.093331 | 1 | 3.031227 | 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-000927 |
BRD-K02130563-001-11-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.60729 | 0.262599 | -0.052201 | 0.803114 | 0.076303 | null | 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-000927 |
BRD-K03390685-001-01-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.089445 | 0.283556 | 0.336363 | 1 | 0.248251 | 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-000927 |
BRD-K03406345-001-21-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.118095 | 2.289516 | 0.071298 | 1 | 0.005521 | 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-000927 |
BRD-K03449891-001-08-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.723097 | 0.611223 | 0.196037 | 1 | 4.130567 | 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-000927 |
BRD-K03765900-001-01-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.425566 | 0.415938 | 0.421972 | 0.74287 | 0.072977 | 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-000927 |
BRD-K05804044-001-18-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.904643 | -4.729739 | -0.081235 | 0.93952 | 0.28741 | 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-000927 |
BRD-K06814349-304-02-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.066585 | -0.521563 | -0.241485 | 1 | 0.419414 | null | fosbretabulin | tubulin polymerization inhibitor, VE-cadherin antagonist | CDH5 | null | null | COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O | Phase 3 | true | ACH-000927 |
BRD-K08109215-001-06-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.867422 | -2.460793 | -0.064751 | 0.908015 | 0.51245 | 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-000927 |
BRD-K08542803-001-02-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.67551 | 0.191786 | 0.040451 | 0.837593 | 0.077236 | 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-000927 |
BRD-K08547377-001-04-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 3.037393 | 0.904684 | 0.689111 | 1 | 0.063532 | null | irinotecan | topoisomerase inhibitor | TOP1, TOP1MT | oncology | colorectal cancer | CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 | Launched | true | ACH-000927 |
BRD-K08703257-001-13-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.125049 | -0.096782 | 0.001041 | 1 | 6.904526 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000927 |
BRD-K08799216-001-05-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.498091 | 0.17408 | 0.038584 | 0.709792 | 0.005901 | null | pelitinib | EGFR inhibitor | EGFR | null | null | CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C | Phase 2 | true | ACH-000927 |
BRD-K11267252-001-05-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.934136 | 0.022758 | -0.009016 | 0.966457 | 0.015262 | 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-000927 |
BRD-K11630072-001-13-2 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.238556 | 2.897599 | 0.560471 | 1 | 0.637583 | 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-000927 |
BRD-K12184916-001-19-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.845303 | -0.134681 | -0.003948 | 0.89418 | 28.553308 | 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-000927 |
BRD-K12343256-001-14-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.197765 | 3.945239 | 0.620093 | 1 | 0.052492 | 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-000927 |
BRD-K13049116-001-04-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.759625 | -3.399799 | -0.175971 | 0.846985 | 0.293942 | 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-000927 |
BRD-K13390322-001-06-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.967066 | 0.171946 | 0.00282 | 0.98447 | 0.157306 | null | 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-000927 |
BRD-K13514097-001-04-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.21144 | 2.848996 | 0.27483 | 1 | 0.009953 | 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-000927 |
BRD-K13662825-001-07-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.952059 | 0.483313 | -0.002284 | 0.974256 | 0.012653 | null | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000927 |
BRD-K14109347-001-03-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 3.176497 | 2.28253 | 0.720285 | 1 | 2.904633 | 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-000927 |
BRD-K15179879-001-03-2 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.317554 | 7.187983 | 0.621575 | 0.748178 | 0.278477 | 0.320408 | 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-000927 |
BRD-K16730910-001-10-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.314371 | 3.176566 | 0.471652 | 0.968331 | 6.966051 | 9.516019 | 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-000927 |
BRD-K17555800-003-02-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.071857 | 2.892903 | 0.000678 | 1 | 0.019572 | 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-000927 |
BRD-K17610631-001-03-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.483818 | 11.233968 | 0.479442 | 0.822662 | 0.345275 | 0.468587 | 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-000927 |
BRD-K17743125-001-08-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.177608 | 0.011997 | -0.001314 | 1 | 0.009781 | 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-000927 |
BRD-K17894950-001-14-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.692307 | 0.20073 | 0.334479 | 0.810389 | 0.006163 | 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-000927 |
BRD-K18961567-001-01-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.792714 | -1.813817 | -0.233938 | 0.873652 | 0.226235 | null | LY2801653 | MET inhibitor | MET | null | null | Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 | Phase 2 | true | ACH-000927 |
BRD-K19687926-001-04-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.143055 | 0.711137 | 0.722543 | 0.79385 | 1.293066 | 2.077008 | 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-000927 |
BRD-K19796430-001-05-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.004411 | 0.316815 | -0.026159 | 1 | 0.001533 | 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-000927 |
BRD-K22064724-001-01-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | -0.009803 | 0.859032 | 0.542688 | 0.796972 | 1.805859 | 1.76549 | 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-000927 |
BRD-K23228615-001-02-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.663736 | 2.512524 | 0.277916 | 0.938933 | 1.72453 | null | 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-000927 |
BRD-K23984367-001-07-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.91439 | 0.867322 | 0.04779 | 0.966175 | 0.223884 | 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-000927 |
BRD-K26026438-001-01-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.24472 | 0.74648 | 0.569756 | 0.691288 | 0.199593 | 0.491192 | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-000927 |
BRD-K26657438-001-15-2 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.9976 | 0.371869 | -0.017115 | 0.999125 | 0.507502 | 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-000927 |
BRD-K28822270-001-03-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.515761 | 4.723216 | 0.635367 | 0.849756 | 0.515377 | null | 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-000927 |
BRD-K29905972-001-06-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 5.223053 | 1.771957 | 0.625313 | 1 | 17.574584 | 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-000927 |
BRD-K30577245-001-05-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.550559 | 0.475317 | 0.390732 | 1 | 0.079042 | null | docetaxel | tubulin polymerization inhibitor | BCL2, MAP2, MAP4, MAPT, NR1I2, TUBB, TUBB1 | oncology | breast cancer, non-small cell lung cancer (NSCLC), prostate cancer, gastric adenocarcinoma, head and neck squamous cell carcinoma (HNSCC) | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C | Launched | true | ACH-000927 |
BRD-K31698212-001-02-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.94165 | 2.732224 | -0.008625 | 0.96799 | 0.048739 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000927 |
BRD-K31928526-001-02-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.950897 | 0.446143 | 0.121455 | 1 | 2.169526 | 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-000927 |
BRD-K33379087-001-07-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.904757 | -0.78082 | -0.07433 | 0.96643 | 0.017183 | null | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000927 |
BRD-K33610132-001-02-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.731937 | 0.622836 | 0.122841 | 0.88894 | 0.196233 | 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-000927 |
BRD-K33622447-066-01-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.161803 | -0.354505 | -0.009678 | 1 | 40.367644 | 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-000927 |
BRD-K35520305-001-16-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.993927 | -0.45851 | -0.063924 | 0.997362 | 0.035274 | 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-000927 |
BRD-K36627727-001-05-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.873085 | -0.105767 | -0.031886 | 0.92201 | 7.052739 | 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-000927 |
BRD-K36788280-001-01-2 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.685994 | 0.904203 | 0.472762 | 1 | 1.631057 | 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-000927 |
BRD-K37379014-001-02-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.883139 | -2.557576 | 0.005401 | 0.926546 | 0.004243 | null | 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-000927 |
BRD-K38332599-001-01-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.606016 | 0.498981 | 0.247787 | 0.750774 | 0.016393 | null | 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-000927 |
BRD-K38527262-300-01-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.271479 | 4.667732 | 0.628487 | 0.8756 | 1.755518 | 2.076127 | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000927 |
BRD-K38852836-001-02-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.706109 | 0.440881 | 0.003175 | 0.816323 | 0.004112 | null | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-000927 |
BRD-K39974922-001-04-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.799427 | 3.334735 | 0.666208 | 1 | 6.584595 | null | lenvatinib | FGFR inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | FLT4, KDR | oncology | thyroid cancer | COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O | Launched | true | ACH-000927 |
BRD-K41859756-001-06-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.572097 | 0.903356 | -0.030988 | 0.757814 | 0.010136 | null | 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-000927 |
BRD-K42495768-001-01-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.141046 | 1.052946 | 0.090996 | 1 | 0.029483 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000927 |
BRD-K42805893-001-04-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.517766 | 2.039369 | 0.154352 | 0.635906 | 0.006549 | 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-000927 |
BRD-K42828737-001-03-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.279709 | -0.040398 | -0.00396 | 1 | 2.396209 | 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-000927 |
BRD-K42898655-001-01-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.668877 | -0.44934 | 0.094965 | 0.779264 | 0.039235 | 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-000927 |
BRD-K43389675-001-02-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.558417 | -1.173658 | -0.130961 | 0.964005 | 0.000877 | null | 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-000927 |
BRD-K44227013-001-06-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.738761 | 2.318446 | 0.085259 | 1 | 0.75454 | null | 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-000927 |
BRD-K44408410-001-17-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.790635 | 2.263633 | 0.604676 | 1 | 3.987121 | null | 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-000927 |
BRD-K44827188-001-06-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.925032 | -0.263836 | -0.117621 | 0.959308 | 0.163148 | 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-000927 |
BRD-K46386702-001-02-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.522913 | 0.449369 | 0.414297 | 0.787377 | 0.151623 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-000927 |
BRD-K49328571-001-15-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.388592 | 2.542941 | 0.576159 | 1 | 0.033319 | null | 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-000927 |
BRD-K49350383-001-14-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.966866 | 44.892449 | -0.218551 | 1 | 9.063465 | 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-000927 |
BRD-K50010139-001-01-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | -0.503248 | 0.020664 | -0.209309 | 0.346207 | 25,095.503374 | 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-000927 |
BRD-K50168500-001-07-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.461734 | 1.511077 | 0.59144 | 0.723693 | 0.068615 | 0.3759 | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000927 |
BRD-K51313569-001-07-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.330915 | 1.330053 | 0.802648 | 1 | 1.397369 | 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-000927 |
BRD-K51791723-003-01-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.037527 | 0.863918 | -0.028963 | 1 | 0.975582 | null | 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-000927 |
BRD-K52313696-001-12-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.844204 | -0.652733 | 0.028705 | 0.93792 | 0.026551 | 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-000927 |
BRD-K53414658-001-08-2 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.145267 | -0.165142 | 0.026991 | 1 | 1.492072 | 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-000927 |
BRD-K53972329-001-07-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.794984 | -1.088137 | 0.017165 | 0.951471 | 0.005609 | 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-000927 |
BRD-K54256913-001-08-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.082622 | -0.322729 | -0.244502 | 1 | 4.577199 | 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-000927 |
BRD-K54955827-001-02-2 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.911455 | -9.550631 | -0.189426 | 0.930621 | 1.22384 | 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-000927 |
BRD-K54997624-001-06-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.516026 | 1.395542 | 0.677187 | 0.821315 | 0.279235 | 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-000927 |
BRD-K55187425-236-05-2 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.075339 | 5.133225 | 0.501429 | 1 | 0.058303 | null | 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-000927 |
BRD-K56343971-001-14-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.004475 | -0.137557 | -0.016102 | 1 | 5,105.59674 | 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-000927 |
BRD-K56981171-001-02-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 3.943498 | 1.33737 | 0.534463 | 1 | 10.897461 | 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-000927 |
BRD-K57080016-001-15-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.896151 | -0.951483 | -0.393869 | 0.938201 | 0.200689 | 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-000927 |
BRD-K57169635-001-04-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.496677 | 5.530325 | 0.57466 | 0.689876 | 0.0253 | 0.062639 | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-000927 |
BRD-K58435339-001-03-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.947966 | 0.305556 | -0.078265 | 0.970486 | 0.02759 | null | 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-000927 |
BRD-K58529924-001-01-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.567074 | 5.741749 | 0.549591 | 0.974556 | 6.029976 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000927 |
BRD-K58550667-001-08-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.555938 | 0.160224 | 0.046903 | 0.781157 | 0.00589 | null | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | true | ACH-000927 |
BRD-K59317601-001-05-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.672479 | 0.307526 | 0.015996 | 0.814795 | 0.028478 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000927 |
BRD-K59369769-001-22-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.621783 | 9.71131 | 0.198791 | 1 | 0.594567 | 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-000927 |
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