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-K82818427-001-04-8 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 1.3612 | 0.372566 | 0.12094 | 1 | 0.123876 | null | batimastat | matrix metalloprotease inhibitor | ADAM28, ADAMTS5, MMP12, MMP16, MMP2, MMP8 | null | null | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO, CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO | Phase 3 | true | ACH-000997 |
BRD-K83988098-001-02-0 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 2.637913 | 3.859632 | 0.675322 | 1 | 0.028361 | null | alvespimycin | HSP inhibitor | HSP90AA1 | null | null | CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O | Phase 2 | true | ACH-000997 |
BRD-K85402309-043-01-9 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.804384 | 0.097905 | 0.010441 | 0.90034 | 0.026384 | 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-000997 |
BRD-K85606544-001-09-1 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.777292 | -5.934908 | 0.274407 | 0.892452 | 0.066167 | 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-000997 |
BRD-K86118762-001-01-8 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 1.373644 | 1.908668 | 0.330372 | 1 | 0.270443 | 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-000997 |
BRD-K86972824-001-01-4 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.938479 | 0.473278 | 0.009082 | 0.956592 | 0.00614 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000997 |
BRD-K87737963-001-06-0 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 1.030426 | -0.001483 | -0.000814 | 1 | 0.014866 | 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-000997 |
BRD-K87909389-003-03-4 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.212101 | 9.839696 | 0.843827 | 0.748758 | 0.452943 | 0.47908 | 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-000997 |
BRD-K88510285-001-17-8 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.171924 | 6.59035 | 0.575246 | 0.846273 | 0.412835 | 0.440087 | 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-000997 |
BRD-K89014967-001-04-3 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 2.776045 | 0.659615 | 0.839296 | 1 | 1.256481 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000997 |
BRD-K92441787-001-04-1 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.883019 | -0.159122 | -0.092236 | 0.918892 | 16.709569 | 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-000997 |
BRD-K92723993-001-17-4 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.981347 | -4.268784 | -0.004445 | 0.999265 | 0.00085 | 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-000997 |
BRD-K95142244-001-01-5 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.242134 | 1.062636 | 0.718218 | 0.655399 | 0.121868 | 0.227255 | 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-000997 |
BRD-K96123349-236-02-8 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.672452 | 1.421003 | 0.537995 | 0.831893 | 0.068675 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000997 |
BRD-K98572433-001-02-9 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 1.247406 | 4.826089 | 0.178349 | 1 | 0.107429 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000997 |
BRD-K99113996-001-02-0 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 0.952959 | 4.123683 | 0.094188 | 0.969422 | 0.018213 | 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-000997 |
BRD-K99616396-001-05-1 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 1.210382 | -0.095267 | -0.031762 | 1 | 0.101568 | 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-000997 |
BRD-M97302542-001-04-4 | ACH-000997 | HCT15_LARGE_INTESTINE | MTS010 | 1 | 1.294614 | 0.197914 | -0.144218 | 1 | 0.321499 | 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-000997 |
BRD-A25234499-001-19-1 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.897993 | 0.030672 | -0.016879 | 0.948276 | 0.03106 | 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-001016 |
BRD-A70858459-001-01-7 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.787051 | -0.031193 | -0.060954 | 0.89199 | 0.197305 | 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-001016 |
BRD-A74914197-001-02-9 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.347633 | 0.836517 | 0.189271 | 1 | 0.01226 | 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-001016 |
BRD-K02113016-001-19-6 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.854565 | 1.546602 | 0.143772 | 0.960149 | 0.707531 | 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-001016 |
BRD-K02130563-001-11-4 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.049816 | 0.508386 | 0.645089 | 0.582262 | 0.156732 | 0.192669 | 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-001016 |
BRD-K03390685-001-01-7 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.111509 | 0.140398 | -0.039083 | 1 | 9.081485 | 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-001016 |
BRD-K03406345-001-21-1 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.027389 | 0.541686 | -0.027621 | 1 | 1.16183 | 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-001016 |
BRD-K03449891-001-08-6 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.896736 | -0.522229 | 0.068348 | 0.940957 | 0.083014 | 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-001016 |
BRD-K03765900-001-01-9 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | -0.143028 | 3.893105 | 0.672271 | 0.962137 | 7.906364 | 7.41155 | 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-001016 |
BRD-K06814349-304-02-7 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.246103 | 4.61115 | 0.893193 | 0.814534 | 0.918653 | 1.064105 | 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-001016 |
BRD-K08109215-001-06-4 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.033369 | 0.126156 | 0.001013 | 1 | 0.116234 | 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-001016 |
BRD-K08542803-001-02-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | -0.043554 | 0.815341 | 0.741984 | 0.689148 | 0.62442 | 0.563623 | 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-001016 |
BRD-K08547377-001-04-4 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.665664 | 5.149837 | 0.438675 | 0.905917 | 0.651603 | 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-001016 |
BRD-K08703257-001-13-9 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.157605 | 0.149688 | 0.009486 | 1 | 0.013813 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-001016 |
BRD-K08799216-001-05-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | -0.35866 | 2.355098 | 0.432861 | 0.965265 | 11.030404 | 8.767406 | 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-001016 |
BRD-K09951645-001-11-8 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.998853 | -0.431348 | -0.148636 | 0.99932 | 0.251816 | 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-001016 |
BRD-K11267252-001-05-1 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.5792 | 6.691955 | 0.489093 | 0.97834 | 6.100909 | 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-001016 |
BRD-K11630072-001-13-2 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.896835 | 0.169392 | -0.009516 | 0.936271 | 0.003935 | 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-001016 |
BRD-K12184916-001-19-6 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.385526 | 0.022806 | -0.066784 | 0.702587 | 1.260113 | 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-001016 |
BRD-K12343256-001-14-7 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.901979 | 1.174192 | 0.225996 | 0.977181 | 1.111175 | 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-001016 |
BRD-K13049116-001-04-0 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.940587 | 1.843835 | 0.78958 | 1 | 3.0924 | 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-001016 |
BRD-K13390322-001-06-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.139153 | 4.437654 | 0.908572 | 0.662665 | 0.223061 | 0.240074 | 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-001016 |
BRD-K13514097-001-04-6 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.41619 | -0.039569 | 0.024177 | 0.705423 | 0.124235 | 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-001016 |
BRD-K13662825-001-07-5 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.167031 | 5.735488 | 0.940514 | 0.525769 | 0.009982 | 0.010716 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-001016 |
BRD-K14109347-001-03-4 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.303172 | 1.379406 | 0.785495 | 0.898591 | 2.723055 | 5.352776 | 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-001016 |
BRD-K15179879-001-03-2 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.107766 | 0.762899 | 0.759522 | 0.442904 | 0.021759 | 0.02991 | 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-001016 |
BRD-K15600710-066-05-8 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.436591 | 5.818538 | 0.568736 | 0.841827 | 0.643877 | 0.918194 | 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-001016 |
BRD-K16730910-001-10-7 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.691908 | -0.771434 | 0.136121 | 0.974313 | 0.000507 | 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-001016 |
BRD-K17555800-003-02-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.990063 | 0.154418 | 0.001521 | 0.995503 | 0.284039 | 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-001016 |
BRD-K17610631-001-03-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.20323 | 3.119609 | 0.927871 | 0.71814 | 0.312752 | 0.369676 | 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-001016 |
BRD-K17743125-001-08-4 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.21067 | 1.876967 | -0.031371 | 1 | 9,517,753,386.770044 | 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-001016 |
BRD-K17894950-001-14-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.90285 | 5.566538 | 0.071245 | 0.965764 | 0.327137 | 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-001016 |
BRD-K18961567-001-01-1 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.386476 | 4.895258 | 0.680704 | 0.909196 | 2.378422 | 3.219739 | 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-001016 |
BRD-K19540840-001-09-4 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.792851 | 0.046087 | -0.008427 | 0.889319 | 0.00391 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-001016 |
BRD-K19687926-001-04-1 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.970656 | -3.376392 | 0.043012 | 0.976545 | 1.426696 | 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-001016 |
BRD-K19796430-001-05-6 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.080705 | 1.797705 | 0.131225 | 1 | 0.571195 | 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-001016 |
BRD-K22064724-001-01-8 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.08029 | 1.323843 | 0.960255 | 0.74691 | 0.707719 | 0.807766 | 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-001016 |
BRD-K22822991-001-02-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.826089 | 0.506899 | 0.057552 | 0.909087 | 0.060087 | 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-001016 |
BRD-K23228615-001-02-8 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.281571 | 1.740629 | 0.563069 | 0.937613 | 5.005287 | 8.054954 | 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-001016 |
BRD-K23984367-001-07-5 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.975957 | -0.361911 | -0.079448 | 0.984848 | 0.484013 | 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-001016 |
BRD-K26026438-001-01-0 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.872317 | 0.789949 | 0.209715 | 0.940723 | 0.112222 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-001016 |
BRD-K26657438-001-15-2 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.056558 | 0.344013 | -0.030536 | 1 | 0.282064 | 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-001016 |
BRD-K28822270-001-03-7 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.845026 | 0.222854 | 0.001508 | 0.903185 | 0.006709 | 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-001016 |
BRD-K29905972-001-06-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.988852 | 0.102667 | -0.006156 | 0.993925 | 0.013015 | 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-001016 |
BRD-K30577245-001-05-0 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.134503 | 4.500071 | 0.951621 | 0.430191 | 0.001049 | 0.001125 | 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-001016 |
BRD-K31698212-001-02-9 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.840366 | 5.473573 | 0.354827 | 0.916917 | 0.064037 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-001016 |
BRD-K31928526-001-02-1 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.962345 | 0.524878 | 0.006296 | 0.981601 | 0.088869 | 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-001016 |
BRD-K33379087-001-07-5 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.198687 | 1.572507 | 0.787044 | 0.740193 | 0.431966 | 0.596107 | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-001016 |
BRD-K33610132-001-02-9 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.028474 | 0.049609 | -0.014584 | 1 | 0.001918 | 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-001016 |
BRD-K35520305-001-16-9 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.860427 | 0.302615 | 0.074791 | 0.900975 | 0.002533 | 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-001016 |
BRD-K36627727-001-05-4 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.307873 | 0.002422 | -0.057551 | 1 | 0.007935 | 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-001016 |
BRD-K36788280-001-01-2 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.839513 | -0.74828 | 0.204984 | 0.972641 | 0.002025 | 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-001016 |
BRD-K37379014-001-02-0 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.142146 | 8.733627 | 0.92868 | 0.728273 | 0.007214 | 0.007496 | 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-001016 |
BRD-K38332599-001-01-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.260456 | 4.270539 | 0.886871 | 0.811356 | 0.84123 | 0.999425 | 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-001016 |
BRD-K38852836-001-02-1 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.130306 | 0.967898 | 0.888488 | 0.609531 | 0.032391 | 0.044249 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-001016 |
BRD-K39974922-001-04-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.140726 | -3.719791 | 0.170885 | 1 | 0.031843 | 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-001016 |
BRD-K41859756-001-06-8 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.222898 | 8.155285 | 0.774791 | 0.557948 | 0.010029 | 0.010782 | 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-001016 |
BRD-K42495768-001-01-7 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.899225 | 0.638337 | -0.061397 | 0.930048 | 0.009394 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-001016 |
BRD-K42805893-001-04-9 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.844966 | 4.115528 | 0.209982 | 0.869104 | 0.002763 | 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-001016 |
BRD-K42828737-001-03-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.99851 | -0.177634 | -0.069552 | 0.999246 | 0.090325 | 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-001016 |
BRD-K42898655-001-01-8 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.480987 | 0.083614 | -0.018613 | 0.735013 | 0.002924 | 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-001016 |
BRD-K43389675-001-02-1 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.101718 | 3.138785 | 0.751289 | 0.792972 | 1.06848 | 1.14878 | 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-001016 |
BRD-K44227013-001-06-4 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.303784 | 0.37004 | -0.077553 | 1 | 2.344306 | 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-001016 |
BRD-K44408410-001-17-6 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | -0.055339 | 2.493387 | 0.875921 | 0.922716 | 5.294245 | 5.075983 | 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-001016 |
BRD-K44827188-001-06-0 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.987475 | -0.20948 | -0.015994 | 0.989465 | 385.629283 | 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-001016 |
BRD-K46386702-001-02-1 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.890753 | -0.012907 | -0.001617 | 0.946203 | 0.00748 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-001016 |
BRD-K49328571-001-15-0 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.092332 | -0.114037 | -0.115227 | 1 | 0.013877 | 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-001016 |
BRD-K49350383-001-14-5 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.093941 | 0.18994 | -0.014284 | 1 | 0.001026 | 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-001016 |
BRD-K50010139-001-01-5 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.689865 | 0.034277 | 0.018475 | 0.838792 | 0.007698 | 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-001016 |
BRD-K50168500-001-07-9 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.829815 | 0.842247 | 0.312347 | 0.900459 | 0.033232 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-001016 |
BRD-K51313569-001-07-8 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.85171 | 6.218091 | 0.370532 | 0.883558 | 0.004903 | 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-001016 |
BRD-K51791723-003-01-7 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.128816 | 1.87498 | 0.863385 | 0.745323 | 0.587547 | 0.688721 | 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-001016 |
BRD-K51967704-001-03-6 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.331586 | 1.693134 | 0.83323 | 0.771334 | 0.362306 | 0.688967 | 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-001016 |
BRD-K52313696-001-12-3 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.948767 | -0.019248 | -0.042193 | 0.972463 | 192.861497 | 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-001016 |
BRD-K53414658-001-08-2 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.118707 | 0.036085 | -0.01789 | 1 | 53.339164 | 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-001016 |
BRD-K53972329-001-07-0 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.979355 | 0.077392 | -0.026153 | 0.98721 | 0.000133 | 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-001016 |
BRD-K54256913-001-08-7 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.839335 | -0.007193 | -0.006381 | 0.919745 | 0.059694 | 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-001016 |
BRD-K54955827-001-02-2 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.045127 | -0.091535 | -0.030586 | 1 | 0.025589 | 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-001016 |
BRD-K54997624-001-06-0 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.154657 | 9.679925 | 0.159985 | 1 | 0.313909 | 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-001016 |
BRD-K55187425-236-05-2 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.243788 | 2.562945 | 0.888254 | 0.553551 | 0.032491 | 0.042175 | 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-001016 |
BRD-K56343971-001-14-8 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 1.050324 | -0.086871 | -0.065697 | 1 | 0.052718 | 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-001016 |
BRD-K56981171-001-02-8 | ACH-001016 | BECKER_CENTRAL_NERVOUS_SYSTEM | MTS010 | 1 | 0.972656 | -0.030635 | -0.032815 | 0.985211 | 16.572309 | 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-001016 |
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