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-000948 | 2313287_STOMACH | MTS010 | 1 | 0.785431 | -2.246123 | 0.077679 | 0.863374 | 0.294495 | 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-000948 |
BRD-K87782578-001-01-4 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.804184 | 0.430285 | 0.080106 | 0.924158 | 0.323223 | 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-000948 |
BRD-K87909389-003-03-4 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.103652 | 6.166831 | 0.77346 | 0.604738 | 0.138504 | 0.14382 | 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-000948 |
BRD-K88510285-001-17-8 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.187724 | 4.381296 | 0.587291 | 0.647673 | 0.037191 | 0.041409 | 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-000948 |
BRD-K89014967-001-04-3 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.383477 | 0.561677 | 0.42957 | 0.821436 | 0.874236 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000948 |
BRD-K92441787-001-04-1 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 1.611019 | 0.326034 | -0.002901 | 1 | 0.775887 | 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-000948 |
BRD-K92723993-001-17-4 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.98884 | -0.020002 | -0.0042 | 0.993895 | 984.479901 | 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-000948 |
BRD-K95142244-001-01-5 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.868279 | 3.740143 | 0.125524 | 0.943662 | 0.157523 | 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-000948 |
BRD-K98572433-001-02-9 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.038473 | -0.101949 | -0.08266 | 0.686202 | 0.000056 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000948 |
BRD-K99113996-001-02-0 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.291601 | 1.226357 | 0.637612 | 0.714851 | 0.202372 | 0.413115 | 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-000948 |
BRD-K99616396-001-05-1 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.973301 | -0.276171 | -0.005563 | 0.986164 | 0.105679 | 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-000948 |
BRD-K99749624-001-07-0 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.932192 | -0.034104 | -0.030928 | 0.968682 | 0.000875 | 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-000948 |
BRD-M97302542-001-04-4 | ACH-000948 | 2313287_STOMACH | MTS010 | 1 | 0.871697 | 3.414315 | 0.085778 | 0.918015 | 0.02027 | 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-000948 |
BRD-A25234499-001-19-1 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.898313 | 1.438331 | -0.051677 | 0.90139 | 0.00039 | 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-000950 |
BRD-A70858459-001-01-7 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.407981 | -0.001849 | -0.072368 | 1 | 3.006173 | 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-000950 |
BRD-A74914197-001-02-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.52672 | 0.035714 | -0.064121 | 1 | 0.004312 | 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-000950 |
BRD-K02113016-001-19-6 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.054222 | -0.270455 | -0.015663 | 1 | 0.490263 | 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-000950 |
BRD-K02130563-001-11-4 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.230217 | 0.187186 | 0.525098 | 0.621917 | 0.023744 | 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-000950 |
BRD-K03390685-001-01-7 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.415731 | 1.021563 | 0.389258 | 0.684974 | 0.053105 | 0.303474 | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | true | ACH-000950 |
BRD-K03406345-001-21-1 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.806259 | -2.44186 | -0.018417 | 0.936323 | 0.014808 | 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-000950 |
BRD-K03449891-001-08-6 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.630478 | 1.223535 | 0.160988 | 0.759992 | 0.018077 | 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-000950 |
BRD-K03765900-001-01-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.513928 | 0.356532 | 0.395457 | 0.765756 | 0.04959 | 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-000950 |
BRD-K05804044-001-18-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.423052 | 0.663631 | 0.337973 | 0.753077 | 0.166916 | 2.800492 | 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-000950 |
BRD-K06814349-304-02-7 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.327995 | 0.67341 | 0.18172 | 0.694636 | 0.125979 | 0.614441 | 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-000950 |
BRD-K08109215-001-06-4 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.701575 | 1.326977 | 0.405744 | 0.860074 | 0.105742 | 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-000950 |
BRD-K08542803-001-02-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.333529 | 13.430918 | 0.808961 | 0.856055 | 1.229452 | 1.334363 | 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-000950 |
BRD-K08547377-001-04-4 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.737114 | 0.10171 | -0.102944 | 0.855566 | 0.010686 | 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-000950 |
BRD-K08703257-001-13-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.999387 | 0.032043 | -0.050637 | 0.999658 | 0.000055 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000950 |
BRD-K08799216-001-05-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.040492 | 0.531004 | -0.144216 | 1 | 0.022359 | 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-000950 |
BRD-K09951645-001-11-8 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.547703 | 0.881057 | 0.028746 | 0.782749 | 0.095044 | 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-000950 |
BRD-K11267252-001-05-1 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.556169 | 5.783603 | 0.255281 | 1 | 1.705882 | 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-000950 |
BRD-K11630072-001-13-2 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.132143 | 0.315123 | 0.025259 | 1 | 0.644464 | 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-000950 |
BRD-K12184916-001-19-6 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.583434 | 1.473218 | 0.140564 | 0.626884 | 0.001375 | 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-000950 |
BRD-K12343256-001-14-7 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.54524 | 2.838576 | 0.61661 | 0.644986 | 0.005122 | 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-000950 |
BRD-K13049116-001-04-0 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.423188 | 0.360628 | 0.021116 | 1 | 0.136338 | 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-000950 |
BRD-K13390322-001-06-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.297268 | 13.669881 | 0.570544 | 0.844023 | 1.160169 | 1.239371 | 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-000950 |
BRD-K13662825-001-07-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.188125 | 4.009497 | 0.882689 | 0.628565 | 0.029537 | 0.033227 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000950 |
BRD-K15179879-001-03-2 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.34501 | 0.638446 | 0.321501 | 0.56164 | 0.012483 | 0.078168 | 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-000950 |
BRD-K16730910-001-10-7 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.612172 | 0.085451 | -0.025868 | 0.796077 | 0.022911 | 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-000950 |
BRD-K17555800-003-02-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.940992 | -0.03797 | -0.004933 | 0.967938 | 7.695143 | 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-000950 |
BRD-K17610631-001-03-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.938333 | 1.909338 | 0.550308 | 1 | 0.187269 | null | indisulam | CDK inhibitor | CA1, CA12, CA14, CA2, CA6, CA7, CA9 | null | null | NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 | Phase 2 | true | ACH-000950 |
BRD-K17743125-001-08-4 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.528927 | 0.159935 | -0.070478 | 0.805632 | 0.792325 | 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-000950 |
BRD-K17894950-001-14-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.698798 | -4.309514 | 0.220747 | 0.885993 | 0.024022 | 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-000950 |
BRD-K18961567-001-01-1 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.796329 | -0.133834 | -0.025416 | 0.876128 | 2.336714 | 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-000950 |
BRD-K19540840-001-09-4 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 22.930169 | -3.322898 | -0.087939 | 1 | 0.000012 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000950 |
BRD-K19687926-001-04-1 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.751772 | -1.172954 | 0.097023 | 0.882743 | 0.059627 | 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-000950 |
BRD-K19796430-001-05-6 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | -1.068701 | 0.096044 | -0.015318 | 0.972089 | 2,876,067,392,107,595,000 | 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-000950 |
BRD-K22822991-001-02-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.423289 | 0.004331 | -0.05146 | 1 | 0.013449 | 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-000950 |
BRD-K23228615-001-02-8 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.4633 | 0.929788 | 0.363354 | 0.733898 | 0.081417 | 1.351034 | 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-000950 |
BRD-K23984367-001-07-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.475475 | -2.987854 | 0.341389 | 1 | 0.665179 | 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-000950 |
BRD-K28822270-001-03-7 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.375034 | 3.751619 | 0.306142 | 0.904649 | 2.383062 | 3.448637 | 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-000950 |
BRD-K29905972-001-06-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 4.719178 | 3.403703 | 0.61201 | 1 | 8.935145 | 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-000950 |
BRD-K30577245-001-05-0 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 20.124703 | 0.193782 | -0.423596 | 1 | 473,053,740.619824 | 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-000950 |
BRD-K31698212-001-02-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.547558 | 2.685635 | 0.303739 | 0.939349 | 2.754226 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000950 |
BRD-K33379087-001-07-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.648253 | 0.687819 | 0.112119 | 0.823356 | 0.076339 | null | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000950 |
BRD-K33610132-001-02-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | -0.039197 | 0.153582 | -0.308093 | 0.739579 | 131.628291 | 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-000950 |
BRD-K33622447-066-01-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.647088 | 2.159002 | 0.200379 | 0.887538 | 0.454125 | 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-000950 |
BRD-K35520305-001-16-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.648483 | -0.910416 | -0.006504 | 0.914842 | 0.005588 | 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-000950 |
BRD-K36627727-001-05-4 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.484981 | 1.189913 | -0.003523 | 0.696035 | 0.032335 | 0.615215 | 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-000950 |
BRD-K36788280-001-01-2 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.866877 | 0.711507 | 0.01258 | 0.878214 | 0.000447 | 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-000950 |
BRD-K37379014-001-02-0 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.544781 | 4.183905 | 0.86997 | 0.800779 | 0.002232 | 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-000950 |
BRD-K38332599-001-01-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.374895 | 3.103247 | 0.48074 | 0.744662 | 0.189856 | 0.296701 | 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-000950 |
BRD-K38527262-300-01-0 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.588291 | 0.598408 | 0.040475 | 0.764262 | 0.032675 | null | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000950 |
BRD-K38852836-001-02-1 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.485682 | 3.528969 | 0.416578 | 0.858991 | 0.174912 | 0.478727 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-000950 |
BRD-K39974922-001-04-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.379291 | 0.310617 | -0.202174 | 0.715998 | 0.149279 | 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-000950 |
BRD-K41859756-001-06-8 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.036919 | 0.621217 | -0.178796 | 1 | 0.069213 | 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-000950 |
BRD-K42495768-001-01-7 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.773305 | -1.036358 | -0.075961 | 0.918563 | 0.019436 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000950 |
BRD-K42805893-001-04-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.491843 | -0.604187 | 0.044682 | 1 | 0.000528 | 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-000950 |
BRD-K42828737-001-03-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.459007 | 10.043644 | 0.267763 | 0.880784 | 1.178232 | 1.511417 | 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-000950 |
BRD-K42898655-001-01-8 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.479815 | 0.380574 | 0.16712 | 1 | 0.001324 | 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-000950 |
BRD-K43389675-001-02-1 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.175555 | 1.650936 | 0.398814 | 0.680698 | 0.233456 | 0.303371 | 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-000950 |
BRD-K44227013-001-06-4 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.387523 | 1.981376 | 0.644091 | 0.728367 | 0.135157 | 0.286969 | 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-000950 |
BRD-K44827188-001-06-0 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.042764 | -0.101871 | -0.00801 | 1 | 0.42927 | 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-000950 |
BRD-K46386702-001-02-1 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.770579 | 0.608343 | 0.117356 | 0.847988 | 0.013096 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-000950 |
BRD-K49328571-001-15-0 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.428239 | 0.124004 | -0.022238 | 1 | 11.270465 | 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-000950 |
BRD-K49350383-001-14-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.724651 | 7.899267 | 0.200298 | 0.862144 | 0.077602 | 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-000950 |
BRD-K50010139-001-01-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.41138 | 2.74312 | 0.351122 | 0.619699 | 0.018921 | 0.035553 | 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-000950 |
BRD-K50168500-001-07-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.919823 | -0.030236 | -0.003751 | 0.959809 | 0.092551 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000950 |
BRD-K51313569-001-07-8 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.80358 | -1.431389 | 0.157857 | 0.968447 | 0.002679 | 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-000950 |
BRD-K51791723-003-01-7 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.419933 | 4.927079 | 0.141304 | 0.81409 | 0.445871 | 0.646649 | 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-000950 |
BRD-K53414658-001-08-2 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.679796 | 0.338326 | -0.067965 | 0.799841 | 0.012548 | 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-000950 |
BRD-K53972329-001-07-0 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 3.070826 | 0.475976 | 0.058197 | 1 | 71.379739 | 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-000950 |
BRD-K54955827-001-02-2 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.949514 | -0.513808 | -0.080453 | 0.972051 | 0.144524 | 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-000950 |
BRD-K54997624-001-06-0 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.193158 | -5.586259 | -0.039228 | 1 | 0.019545 | 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-000950 |
BRD-K55187425-236-05-2 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.531146 | 2.480108 | 0.355896 | 0.71229 | 0.025922 | 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-000950 |
BRD-K56343971-001-14-8 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.220999 | 3.473798 | 0.022567 | 1 | 6.479448 | 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-000950 |
BRD-K57080016-001-15-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.405314 | 0.451582 | -0.021441 | 0.494674 | 0.000551 | 0.021947 | 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-000950 |
BRD-K57169635-001-04-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.365061 | 3.234585 | 0.257244 | 0.810805 | 0.554817 | 0.831784 | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-000950 |
BRD-K58435339-001-03-0 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.441748 | 2.125974 | 0.052105 | 1 | 0.002139 | 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-000950 |
BRD-K58529924-001-01-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.604383 | 0.669946 | 0.215417 | 0.876475 | 0.62102 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000950 |
BRD-K58550667-001-08-7 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.330362 | 0.230947 | -0.236681 | 0.567565 | 0.00028 | 0.03017 | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | true | ACH-000950 |
BRD-K59317601-001-05-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.373278 | 0.656713 | 0.224273 | 0.527931 | 0.004754 | 0.038438 | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000950 |
BRD-K59369769-001-22-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 3.505676 | 1.080689 | -0.057883 | 1 | 44.405604 | 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-000950 |
BRD-K60866521-001-07-1 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.80167 | 0.065731 | 0.002657 | 0.895411 | 0.014556 | 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-000950 |
BRD-K60997853-001-02-3 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.72302 | 7.353767 | -0.002332 | 0.894264 | 0.246078 | null | PHA-848125 | CDK inhibitor, growth factor receptor inhibitor | CDK2, CDK4, CDK7, NTRK1 | null | null | CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 | Phase 2 | true | ACH-000950 |
BRD-K61192372-001-08-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.811862 | 4.414911 | 0.066004 | 0.883287 | 0.024288 | 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-000950 |
BRD-K62008436-001-23-9 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.354066 | -0.022059 | -0.227058 | 0.470927 | 2,781,455,829,223,273,000,000,000,000 | null | paclitaxel | tubulin polymerization inhibitor | BCL2, MAP2, MAP4, MAPT, NR1I2, TLR4, TUBB, TUBB1 | oncology | ovarian cancer, breast cancer, non-small cell lung cancer (NSCLC) | CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 | Launched | true | ACH-000950 |
BRD-K62196610-001-01-6 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 1.430898 | 3.450175 | 0.103228 | 1 | 0.306565 | null | AVN-944 | inosine monophosphate dehydrogenase inhibitor | IMPDH1, IMPDH2 | null | null | CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1 | Phase 2 | true | ACH-000950 |
BRD-K62200014-003-10-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.357329 | -0.330129 | -0.055919 | 0.845256 | 0.001273 | 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-000950 |
BRD-K62627508-001-01-5 | ACH-000950 | LOVO_LARGE_INTESTINE | MTS010 | 1 | 0.357956 | 1.43917 | 0.595364 | 0.804129 | 0.522982 | 1.253867 | idasanutlin | MDM inhibitor | MDM2, TP53 | null | null | COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O | Phase 3 | true | ACH-000950 |
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