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-K30577245-001-05-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.153242 | 1.435168 | 0.663694 | 0.568749 | 0.004458 | 0.005753 | 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-000982 |
BRD-K31698212-001-02-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.396328 | -0.470452 | -0.064699 | 1 | 0.014207 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000982 |
BRD-K31928526-001-02-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.161984 | 4.261889 | 0.834646 | 0.627707 | 0.134156 | 0.147066 | 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-000982 |
BRD-K33379087-001-07-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.152502 | 3.94998 | 0.673167 | 0.848481 | 1.764418 | 1.934666 | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000982 |
BRD-K33610132-001-02-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.539791 | -0.347829 | -0.277569 | 0.832123 | 0.011153 | 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-000982 |
BRD-K33622447-066-01-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.408375 | 4.191959 | 0.59811 | 0.83302 | 0.646336 | 0.968857 | 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-000982 |
BRD-K35520305-001-16-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.420441 | 3.02468 | 0.185621 | 0.990048 | 11.498856 | 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-000982 |
BRD-K36627727-001-05-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.795909 | 0.385497 | -0.077121 | 0.856917 | 0.004834 | 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-000982 |
BRD-K36788280-001-01-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.677009 | 0.85252 | 0.046426 | 0.889793 | 0.389886 | 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-000982 |
BRD-K37379014-001-02-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.167498 | 8.420622 | 0.839081 | 0.739003 | 0.007445 | 0.007814 | 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-000982 |
BRD-K38332599-001-01-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.234131 | 1.381968 | 0.68564 | 0.707377 | 0.246295 | 0.388994 | 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-000982 |
BRD-K38527262-300-01-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.138708 | 3.430983 | 0.449118 | 0.798945 | 0.955606 | 1.050546 | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000982 |
BRD-K38852836-001-02-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.210053 | 0.899288 | 0.812222 | 0.528356 | 0.007421 | 0.013602 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-000982 |
BRD-K39974922-001-04-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.670994 | 2.055048 | -0.089271 | 0.909733 | 0.699108 | 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-000982 |
BRD-K41859756-001-06-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.183327 | 1.357812 | 0.772034 | 0.407752 | 0.002157 | 0.00302 | 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-000982 |
BRD-K42495768-001-01-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.255065 | 6.459331 | 0.559548 | 0.900882 | 2.749337 | 3.070483 | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000982 |
BRD-K42828737-001-03-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.16197 | 0.317089 | 0.009504 | 1 | 3.446339 | 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-000982 |
BRD-K42898655-001-01-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.481669 | 0.57969 | 0.203905 | 1 | 0.00045 | 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-000982 |
BRD-K43389675-001-02-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.083967 | 0.851975 | 0.693737 | 0.445638 | 0.027099 | 0.033625 | 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-000982 |
BRD-K44227013-001-06-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.232628 | 15.541493 | 0.555238 | 0.846412 | 1.433651 | 1.492573 | 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-000982 |
BRD-K44408410-001-17-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.095093 | 2.046571 | 0.566869 | 0.897554 | 3.519825 | 3.902052 | 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-000982 |
BRD-K46386702-001-02-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.653467 | 0.523772 | 0.142553 | 0.859711 | 0.232166 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-000982 |
BRD-K49328571-001-15-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.002272 | -0.158212 | -0.027112 | 1 | 0.009892 | 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-000982 |
BRD-K49350383-001-14-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.730113 | 0.995851 | 0.208218 | 0.895787 | 0.240978 | 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-000982 |
BRD-K50010139-001-01-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.275135 | 0.504771 | 0.566892 | 0.647349 | 0.091264 | 0.444462 | 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-000982 |
BRD-K50168500-001-07-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.429913 | 4.32049 | 0.377451 | 0.91678 | 2.426454 | 3.823663 | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000982 |
BRD-K51313569-001-07-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.658554 | 6.725985 | 0.357332 | 0.885307 | 0.383957 | 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-000982 |
BRD-K51791723-003-01-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.045271 | 0.460447 | 0.631501 | 0.576066 | 0.153437 | 0.188558 | 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-000982 |
BRD-K51967704-001-03-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.250819 | 1.17086 | 0.758636 | 0.624481 | 0.077162 | 0.139871 | 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-000982 |
BRD-K53414658-001-08-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | -0.205032 | 3.157228 | 0.649358 | 0.961234 | 8.485268 | 7.610209 | 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-000982 |
BRD-K54256913-001-08-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.093999 | 8.293241 | 0.82421 | 0.713482 | 0.464657 | 0.476472 | 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-000982 |
BRD-K54955827-001-02-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.257452 | 0.981284 | 0.728637 | 0.640659 | 0.091531 | 0.191308 | 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-000982 |
BRD-K54997624-001-06-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.25178 | 0.836841 | 0.846088 | 0.757359 | 0.467465 | 1.079389 | 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-000982 |
BRD-K55187425-236-05-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.173276 | 4.169854 | 0.699574 | 0.622467 | 0.118938 | 0.131718 | 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-000982 |
BRD-K56343971-001-14-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.745693 | 0.459245 | 0.072791 | 0.871354 | 0.072772 | 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-000982 |
BRD-K56981171-001-02-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.640138 | 0.138791 | 0.015427 | 0.859271 | 2.135464 | 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-000982 |
BRD-K57080016-001-15-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.61698 | -1.401369 | -0.030371 | 0.947315 | 0.002057 | 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-000982 |
BRD-K57169635-001-04-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.085276 | 0.298401 | 0.225831 | 0.642265 | 0.440534 | 0.824394 | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-000982 |
BRD-K58435339-001-03-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.248657 | 0.951303 | 0.58267 | 0.465796 | 0.009358 | 0.019283 | 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-000982 |
BRD-K58550667-001-08-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.139468 | 5.252491 | 0.831947 | 0.627884 | 0.009402 | 0.010006 | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | true | ACH-000982 |
BRD-K59317601-001-05-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.484488 | 0.214556 | -0.009942 | 0.728829 | 0.046035 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000982 |
BRD-K59369769-001-22-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.299894 | 1.721675 | 0.801367 | 0.61053 | 0.045211 | 0.076956 | 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-000982 |
BRD-K60866521-001-07-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.008028 | -0.150769 | -0.131866 | 1 | 8.871805 | 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-000982 |
BRD-K60997853-001-02-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | -0.198422 | 0.677214 | 0.628207 | 0.763426 | 2.340978 | 1.42911 | 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-000982 |
BRD-K61192372-001-08-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.021966 | -0.046949 | -0.000182 | 1 | 0.004553 | 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-000982 |
BRD-K62008436-001-23-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.112499 | 4.93317 | 0.647747 | 0.59965 | 0.007844 | 0.00826 | 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-000982 |
BRD-K62196610-001-01-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.504951 | 3.777232 | 0.458504 | 0.834393 | 0.389116 | 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-000982 |
BRD-K62391742-001-09-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.885407 | 4.624463 | 0.086546 | 0.911469 | 0.005544 | null | venetoclax | BCL inhibitor | BCL2 | hematologic malignancy | chronic lymphocytic leukemia (CLL) | CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1, CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1, CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 | Launched | true | ACH-000982 |
BRD-K62627508-001-01-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.146836 | 1.774583 | 0.822803 | 0.588488 | 0.092713 | 0.112779 | 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-000982 |
BRD-K63504947-001-14-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.466792 | -1.52397 | 0.237953 | 0.954968 | 0.001109 | null | semaxanib | VEGFR inhibitor | FGFR1, FLT1, KDR, KIT, PDGFRA, PDGFRB, RET | null | null | Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 | Phase 3 | true | ACH-000982 |
BRD-K63712959-001-01-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.010324 | 0.133974 | -0.036613 | 1 | 0.044313 | null | temoporfin | radical formation stimulant | null | oncology | head and neck squamous cell carcinoma (HNSCC) | Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1[nH]2 | Launched | true | ACH-000982 |
BRD-K64881305-001-03-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.143331 | 2.164739 | 0.879164 | 0.315848 | 0.004277 | 0.004999 | ispinesib | kinesin inhibitor | KIF11 | null | null | CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 | Phase 2 | true | ACH-000982 |
BRD-K66175015-001-12-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.214522 | 0.95032 | 0.518278 | 0.701713 | 0.258195 | 0.465661 | afatinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | oncology | non-small cell lung cancer (NSCLC) | CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | Launched | true | ACH-000982 |
BRD-K67844266-003-01-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.153005 | 1.857707 | 0.835559 | 0.776917 | 0.779767 | 0.949204 | pevonedistat | nedd activating enzyme inhibitor | NAE1, UBA3 | null | null | NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12 | Phase 2 | true | ACH-000982 |
BRD-K69001009-001-02-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.296529 | 0.669761 | -0.038642 | 0.719349 | 0.226872 | 0.868524 | golvatinib | VEGFR inhibitor | KDR, MET | null | null | CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)c(F)c2)ccn1 | Phase 2 | true | ACH-000982 |
BRD-K69694239-001-02-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.193465 | 1.447592 | 0.849399 | 0.633051 | 0.121008 | 0.16967 | bardoxolone-methyl | nuclear factor erythroid derived, like (NRF2) activator | PPARG, STAT3 | null | null | COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 | Phase 3 | true | ACH-000982 |
BRD-K69776681-001-03-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.164475 | 0.377178 | 0.585603 | 0.498845 | 0.020196 | 0.058155 | volasertib | PLK inhibitor | PLK1 | null | null | CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O, CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O | Phase 3 | true | ACH-000982 |
BRD-K70301465-001-05-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.482173 | 0.530822 | 0.411319 | 0.773352 | 0.158302 | null | ibrutinib | Bruton's tyrosine kinase (BTK) inhibitor | BLK, BMX, BTK | hematologic malignancy | chronic lymphocytic leukemia (CLL), mantle cell lymphoma (MCL), Waldenstrom's macroglobulinemia (WM) | Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C, Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C | Launched | true | ACH-000982 |
BRD-K70401845-001-15-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.326512 | -0.518433 | 0.166379 | 1 | 0.053459 | null | erlotinib | EGFR inhibitor | EGFR, NR1I2 | oncology | non-small cell lung cancer (NSCLC), pancreatic cancer | COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC, COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC | Launched | true | ACH-000982 |
BRD-K73838513-003-05-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.262353 | 5.919474 | 0.651678 | 0.957897 | 5.784364 | 6.55874 | cinacalcet | calcium channel activator | CASR | endocrinology, nephrology, oncology | hyperparathyroidism, chronic kidney disease (CKD), parathyroid carcinoma, hypercalcemia | C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 | Launched | true | ACH-000982 |
BRD-K74514084-003-09-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.407928 | 1.26209 | 0.264798 | 0.852935 | 0.933065 | 3.565777 | pazopanib | KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | CSF1R, FGF1, FGFR1, FGFR3, FLT1, FLT4, ITK, KDR, KIT, PDGFRA, PDGFRB, SH2B3 | oncology | renal cell carcinoma (RCC), soft tissue sarcoma (STS) | CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1, CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 | Launched | true | ACH-000982 |
BRD-K75009076-001-02-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.130325 | 1.815992 | 0.816089 | 0.592277 | 0.105708 | 0.124833 | SCH-900776 | CHK inhibitor | CDK2, CHEK1 | null | null | Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1, Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1 | Phase 2 | true | ACH-000982 |
BRD-K76210423-001-01-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.015101 | -0.00695 | -0.00088 | 1 | 965,650,913,621,529,300,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000 | null | resiquimod | toll-like receptor agonist | TLR7, TLR8 | null | null | CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O, CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O | Phase 3 | true | ACH-000982 |
BRD-K76239644-001-02-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.414438 | 1.973979 | 0.630152 | 0.779186 | 0.257523 | 0.629818 | BMS-690514 | EGFR inhibitor, VEGFR inhibitor | EGFR, ERBB2, FLT3, KDR | null | null | COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1, COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 | Phase 2 | true | ACH-000982 |
BRD-K76674262-001-03-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.138155 | 0.923905 | 0.744367 | 0.508469 | 0.038817 | 0.055084 | homoharringtonine | protein synthesis inhibitor | RPL3 | hematologic malignancy | chronic myeloid leukemia (CML) | COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC | Launched | true | ACH-000982 |
BRD-K76908866-001-07-6 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.474297 | 0.073156 | 0.025656 | 0.716006 | 0.008425 | null | CP-724714 | EGFR inhibitor, protein tyrosine kinase inhibitor | ERBB2 | null | null | COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 | Phase 2 | true | ACH-000982 |
BRD-K77625799-001-07-7 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.813819 | 0.104132 | -0.069136 | 0.918285 | 0.868238 | null | vandetanib | EGFR inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor | EGFR, EPHA1, EPHA10, EPHA2, EPHA3, EPHA4, EPHA5, EPHA6, EPHA7, EPHA8, EPHB1, EPHB2, EPHB3, EPHB4, EPHB6, ERBB2, ERBB3, ERBB4, FLT1, FLT4, KDR, PTK6, RET, SRC, TEK, VEGFA | oncology | medullary thyroid cancer (MTC) | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 | Launched | true | ACH-000982 |
BRD-K78431006-001-15-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.418398 | 11.10146 | 0.538035 | 0.871792 | 1.177396 | 1.386242 | crizotinib | ALK tyrosine kinase receptor inhibitor | ALK, MET | oncology | non-small cell lung cancer (NSCLC) | C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl, C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl, C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl | Launched | true | ACH-000982 |
BRD-K79254416-001-21-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.201758 | 0.428966 | 0.678104 | 0.556675 | 0.039072 | 0.130314 | decitabine | DNA methyltransferase inhibitor | DNMT1, DNMT3A | hematologic malignancy, hematology | myelodysplastic diseases (MDS), anemia, chronic myeloid leukemia (CML) | Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | Launched | true | ACH-000982 |
BRD-K81016934-001-02-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.999684 | -0.174619 | -0.000224 | 0.99986 | 0.018804 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000982 |
BRD-K81418486-001-44-2 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.170312 | 1.971908 | 0.420077 | 0.912393 | 3.857409 | 4.764478 | vorinostat | HDAC inhibitor | HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC5, HDAC6, HDAC8, HDAC9 | hematologic malignancy | cutaneous T-cell lymphoma (CTCL) | ONC(=O)CCCCCCC(=O)Nc1ccccc1, ONC(=O)CCCCCCC(=O)Nc1ccccc1, ONC(=O)CCCCCCC(=O)Nc1ccccc1 | Launched | true | ACH-000982 |
BRD-K81473043-001-19-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | -0.012858 | 0.526695 | 0.70901 | 0.604037 | 0.017011 | 0.01621 | tanespimycin | HSP inhibitor | HSP90AA1 | null | null | CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O | Phase 3 | true | ACH-000982 |
BRD-K82135108-001-04-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.40651 | 1.43198 | 0.468984 | 0.786329 | 0.305223 | 0.984329 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000982 |
BRD-K82746043-001-19-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.550543 | -0.032794 | -0.153012 | 0.717312 | 786,668.6332 | null | navitoclax | BCL inhibitor | BCL2, BCL2L1, BCL2L2 | null | null | CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1, CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 | Phase 2 | true | ACH-000982 |
BRD-K82818427-001-04-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.150811 | 0.061904 | -0.017008 | 1 | 0.000573 | 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-000982 |
BRD-K83029223-001-01-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.311629 | 6.301029 | 0.766275 | 0.529243 | 0.000819 | 0.000956 | litronesib | kinesin-like spindle protein inhibitor | KIF11 | null | null | CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)c1ccccc1 | Phase 2 | true | ACH-000982 |
BRD-K83988098-001-02-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.214737 | 3.890248 | 0.717409 | 0.800167 | 0.013202 | 0.01525 | 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-000982 |
BRD-K85402309-043-01-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.165425 | 4.441394 | 0.70355 | 0.757368 | 0.595238 | 0.651591 | 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-000982 |
BRD-K85606544-001-09-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.677795 | 0.426192 | 0.216541 | 0.814582 | 0.03022 | 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-000982 |
BRD-K86118762-001-01-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.911761 | -2.200875 | 0.020118 | 0.946232 | 0.225717 | 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-000982 |
BRD-K86972824-001-01-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 1.027076 | -0.016006 | -0.000523 | 1 | 4,006,064,995.50052 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000982 |
BRD-K87737963-001-06-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | -0.025489 | 0.929543 | 0.644124 | 0.826647 | 2.523179 | 2.39176 | 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-000982 |
BRD-K87782578-001-01-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.62481 | 0.264739 | 0.012131 | 0.821088 | 0.116133 | 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-000982 |
BRD-K87909389-003-03-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.363733 | 3.858271 | 0.635477 | 0.688833 | 0.042775 | 0.059913 | 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-000982 |
BRD-K88510285-001-17-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.203362 | 4.226752 | 0.803193 | 0.654781 | 0.037338 | 0.042246 | 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-000982 |
BRD-K89014967-001-04-3 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.803098 | 1.06588 | 0.073111 | 0.909773 | 0.117697 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000982 |
BRD-K92441787-001-04-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.697823 | -0.194041 | -0.001961 | 0.887737 | 0.004289 | 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-000982 |
BRD-K92723993-001-17-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.931539 | 3.499361 | -0.00339 | 0.960366 | 0.036309 | 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-000982 |
BRD-K95142244-001-01-5 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.265566 | 1.293174 | 0.824214 | 0.479749 | 0.010133 | 0.018202 | 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-000982 |
BRD-K96123349-236-02-8 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.534828 | 2.748892 | 0.42198 | 0.891116 | 1.032203 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000982 |
BRD-K98572433-001-02-9 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.13472 | 0.706427 | 0.51152 | 0.721092 | 0.509321 | 0.794323 | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000982 |
BRD-K99113996-001-02-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.828631 | 0.291141 | 0.035099 | 0.913839 | 0.074716 | 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-000982 |
BRD-K99616396-001-05-1 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.799338 | -0.232833 | -0.102333 | 0.966641 | 0.000042 | 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-000982 |
BRD-K99749624-001-07-0 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.001744 | 1.313607 | 0.541679 | 0.887742 | 4.131409 | 4.142416 | 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-000982 |
BRD-M97302542-001-04-4 | ACH-000982 | GP2D_LARGE_INTESTINE | MTS010 | 1 | 0.903046 | 1.228356 | 0.080974 | 0.946469 | 0.046963 | 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-000982 |
BRD-A25234499-001-19-1 | ACH-000984 | HEC6_ENDOMETRIUM | MTS010 | 1 | 0.852472 | 2.015532 | 0.091965 | 0.931853 | 0.113022 | 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-000984 |
BRD-A70858459-001-01-7 | ACH-000984 | HEC6_ENDOMETRIUM | MTS010 | 1 | 0.792874 | -0.315946 | -0.063405 | 0.900846 | 0.056685 | 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-000984 |
BRD-A74914197-001-02-9 | ACH-000984 | HEC6_ENDOMETRIUM | MTS010 | 1 | 2.318576 | 0.3138 | 0.165874 | 1 | 0.017907 | 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-000984 |
BRD-K02113016-001-19-6 | ACH-000984 | HEC6_ENDOMETRIUM | MTS010 | 1 | 0.834667 | -0.370826 | -0.019235 | 0.908481 | 0.161696 | 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-000984 |
BRD-K02130563-001-11-4 | ACH-000984 | HEC6_ENDOMETRIUM | MTS010 | 1 | 0.232479 | 1.413869 | 0.698458 | 0.39879 | 0.004814 | 0.007492 | 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-000984 |
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