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-K50010139-001-01-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 2.113909 | 0.345511 | 0.486434 | 1 | 0.818932 | 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-000985 |
BRD-K50168500-001-07-9 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.545735 | 0.594567 | 0.215282 | 1 | 1.669337 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000985 |
BRD-K51313569-001-07-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.977823 | 0.681936 | -0.078894 | 0.988233 | 0.056743 | 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-000985 |
BRD-K51791723-003-01-7 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.104179 | 1.212289 | 0.737213 | 0.677061 | 0.305938 | 0.370969 | 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-000985 |
BRD-K51967704-001-03-6 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.035825 | 0.527796 | 0.689788 | 0.636752 | 0.321157 | 0.369738 | 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-000985 |
BRD-K52313696-001-12-3 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.248759 | 1.152944 | 0.186586 | 1 | 0.053194 | 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-000985 |
BRD-K53414658-001-08-2 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.062571 | 0.110254 | -0.04477 | 1 | 1,246.318418 | 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-000985 |
BRD-K53972329-001-07-0 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.070092 | 0.078701 | 0.003602 | 1 | 0.527794 | 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-000985 |
BRD-K54256913-001-08-7 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.308757 | 4.473155 | 0.372285 | 0.818552 | 0.78283 | 0.970462 | 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-000985 |
BRD-K54955827-001-02-2 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.054907 | 0.390469 | -0.016762 | 1 | 0.002814 | 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-000985 |
BRD-K54997624-001-06-0 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.576173 | 1.544395 | 0.591714 | 1 | 0.748675 | 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-000985 |
BRD-K55187425-236-05-2 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.812977 | 0.02965 | -0.023336 | 0.901194 | 0.001695 | 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-000985 |
BRD-K56343971-001-14-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.782431 | -0.023348 | -0.032745 | 0.832406 | 2,636,448,734,068,206,000,000 | 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-000985 |
BRD-K56981171-001-02-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.828671 | 2.063382 | 0.288223 | 1 | 8.808761 | 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-000985 |
BRD-K57080016-001-15-9 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.455088 | 1.865167 | 0.671461 | 0.75581 | 0.129226 | 0.470415 | 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-000985 |
BRD-K57169635-001-04-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.314011 | 2.525955 | -0.036413 | 1 | 0.060605 | null | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-000985 |
BRD-K58435339-001-03-0 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.065646 | 0.606431 | 0.92081 | 0.48639 | 0.045657 | 0.057585 | 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-000985 |
BRD-K58529924-001-01-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.006181 | 0.257011 | -0.024898 | 1 | 0.669336 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000985 |
BRD-K58550667-001-08-7 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.561993 | 0.535174 | 0.367954 | 0.768426 | 0.003531 | null | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | true | ACH-000985 |
BRD-K59317601-001-05-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.66705 | 2.773794 | 0.319236 | 0.746593 | 0.006194 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000985 |
BRD-K59369769-001-22-9 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.678795 | -0.023671 | -0.061443 | 0.814836 | 35,894.328728 | 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-000985 |
BRD-K60866521-001-07-1 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.074478 | -0.37767 | -0.09894 | 1 | 0.005602 | 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-000985 |
BRD-K60997853-001-02-3 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | -0.113122 | 3.789797 | 0.511454 | 0.96143 | 7.790119 | 7.381956 | 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-000985 |
BRD-K61192372-001-08-9 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.848418 | 0.263084 | -0.058191 | 0.883744 | 0.000495 | 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-000985 |
BRD-K62008436-001-23-9 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.569697 | -0.10229 | -0.088739 | 0.802214 | 0.000972 | 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-000985 |
BRD-K62200014-003-10-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.975067 | -0.277231 | -0.110341 | 0.981384 | 6.464286 | 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-000985 |
BRD-K62391742-001-09-7 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.038837 | 0.051938 | -0.002323 | 1 | 0.01204 | 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-000985 |
BRD-K62627508-001-01-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.332817 | 1.425231 | 0.060773 | 1 | 0.0178 | null | 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-000985 |
BRD-K63504947-001-14-7 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.236036 | -0.023825 | -0.055319 | 1 | 0.007295 | 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-000985 |
BRD-K63712959-001-01-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.003681 | -0.119524 | -0.028677 | 1 | 0.129713 | 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-000985 |
BRD-K64052750-001-22-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.955093 | 0.714631 | 0.67738 | 1 | 1.347592 | null | gefitinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | Launched | true | ACH-000985 |
BRD-K66175015-001-12-4 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | -0.095689 | 1.898343 | 0.703709 | 0.923509 | 6.022346 | 5.491618 | 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-000985 |
BRD-K67844266-003-01-9 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.21534 | 0.215697 | -0.019165 | 1 | 43.62598 | null | 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-000985 |
BRD-K69001009-001-02-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.069484 | 0.304673 | -0.078447 | 1 | 0.083731 | null | 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-000985 |
BRD-K69694239-001-02-2 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.237617 | 2.606993 | 0.754762 | 0.783586 | 0.636398 | 0.814977 | 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-000985 |
BRD-K69776681-001-03-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.210931 | 5.729223 | 0.379257 | 0.847102 | 1.525197 | 1.67827 | 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-000985 |
BRD-K70301465-001-05-9 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.469133 | 2.701717 | 0.044201 | 1 | 0.955714 | 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-000985 |
BRD-K70401845-001-15-7 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.729566 | 0.201921 | 0.162991 | 1 | 4.446417 | 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-000985 |
BRD-K73838513-003-05-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.548731 | 0.234207 | 0.059624 | 0.821453 | 0.574963 | null | 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-000985 |
BRD-K74514084-003-09-2 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.204393 | 19.286946 | 0.093007 | 1 | 6.198092 | null | 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-000985 |
BRD-K75009076-001-02-1 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | -0.212142 | 0.450882 | 0.221073 | 0.664185 | 1.351779 | 0.616938 | 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-000985 |
BRD-K76210423-001-01-6 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.859438 | -0.140394 | 0.016629 | 0.912163 | 3.395165 | 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-000985 |
BRD-K76239644-001-02-6 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.675446 | 0.972856 | 0.600374 | 1 | 0.73155 | null | 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-000985 |
BRD-K76674262-001-03-3 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.343562 | 4.795893 | 0.516689 | 0.811708 | 0.618109 | 0.787569 | 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-000985 |
BRD-K76908866-001-07-6 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.150794 | 0.400093 | 0.093231 | 1 | 0.367175 | 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-000985 |
BRD-K77625799-001-07-7 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.903618 | 32.662162 | 0.305224 | 1 | 2.484489 | 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-000985 |
BRD-K78431006-001-15-1 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.373726 | 3.500522 | 0.393437 | 0.951893 | 4.849928 | 7.185697 | 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-000985 |
BRD-K79254416-001-21-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.909215 | 0.153487 | 0.009559 | 0.944648 | 0.003747 | null | 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-000985 |
BRD-K81016934-001-02-0 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.040266 | -0.069074 | -0.003431 | 1 | 12,735,893.644771 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000985 |
BRD-K81418486-001-44-2 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.899856 | 0.304741 | 0.034408 | 0.95694 | 0.231539 | null | 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-000985 |
BRD-K81473043-001-19-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.270384 | 3.593146 | 0.499029 | 0.906549 | 0.18089 | 0.224633 | 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-000985 |
BRD-K82135108-001-04-3 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.45873 | 2.349438 | 0.280681 | 0.815419 | 0.36544 | 1.05662 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000985 |
BRD-K82746043-001-19-3 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.079251 | 0.535154 | 0.63663 | 0.573835 | 0.118761 | 0.163953 | 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-000985 |
BRD-K82818427-001-04-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.712639 | -1.022859 | 0.008626 | 0.953648 | 0.002342 | 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-000985 |
BRD-K83029223-001-01-3 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.775731 | 0.191279 | 0.078057 | 1 | 0.059935 | null | 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-000985 |
BRD-K83988098-001-02-0 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.074642 | -1.48144 | -0.054199 | 1 | 0.000008 | 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-000985 |
BRD-K85402309-043-01-9 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.139915 | 0.411268 | -0.153243 | 1 | 0.018994 | 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-000985 |
BRD-K85606544-001-09-1 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.765835 | -2.020634 | -0.07414 | 0.902981 | 0.034 | 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-000985 |
BRD-K86118762-001-01-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.849889 | -0.411842 | 0.087281 | 0.914703 | 0.187119 | 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-000985 |
BRD-K87737963-001-06-0 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.868096 | -3.038958 | 0.073369 | 0.957267 | 0.01415 | 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-000985 |
BRD-K87782578-001-01-4 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.059328 | -0.177189 | -0.032057 | 1 | 0.310682 | 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-000985 |
BRD-K87909389-003-03-4 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.184067 | 0.626169 | 0.912996 | 0.674698 | 0.047633 | 0.099154 | 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-000985 |
BRD-K88510285-001-17-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.061673 | 2.073488 | 0.592901 | 0.712281 | 0.127783 | 0.13616 | 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-000985 |
BRD-K89014967-001-04-3 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.293996 | 0.705207 | 0.807723 | 0.622071 | 0.054163 | 0.190448 | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000985 |
BRD-K92441787-001-04-1 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 2.079056 | 2.374866 | 0.008912 | 1 | 4.626761 | 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-000985 |
BRD-K92723993-001-17-4 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.918537 | 0.27958 | -0.000253 | 0.950879 | 0.014069 | 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-000985 |
BRD-K95142244-001-01-5 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.907755 | -2.51861 | 0.098355 | 0.935662 | 0.530933 | 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-000985 |
BRD-K96123349-236-02-8 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.115728 | -0.104708 | -0.208542 | 1 | 6.029052 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000985 |
BRD-K98572433-001-02-9 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.654806 | 5.947719 | 0.68346 | 1 | 0.065874 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000985 |
BRD-K99113996-001-02-0 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 0.648009 | 4.483456 | 0.322482 | 0.863181 | 0.230016 | 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-000985 |
BRD-K99616396-001-05-1 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.019447 | 0.061077 | -0.016394 | 1 | 0.21695 | 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-000985 |
BRD-K99749624-001-07-0 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.382868 | -0.340513 | 0.048875 | 1 | 0.00114 | 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-000985 |
BRD-M97302542-001-04-4 | ACH-000985 | LS411N_LARGE_INTESTINE | MTS010 | 1 | 1.007024 | 0.119379 | -0.003098 | 1 | 0.000037 | 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-000985 |
BRD-A25234499-001-19-1 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.568238 | -0.037111 | -0.189054 | 0.790029 | 0.017786 | 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-000987 |
BRD-A70858459-001-01-7 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.792082 | -0.353061 | 0.069818 | 0.892931 | 0.096264 | 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-000987 |
BRD-A74914197-001-02-9 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.444984 | 1.055511 | 0.426018 | 0.844888 | 0.043838 | 0.354742 | 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-000987 |
BRD-K02113016-001-19-6 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.879254 | -0.099493 | 0.006149 | 0.960155 | 0.000055 | 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-000987 |
BRD-K02130563-001-11-4 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.311766 | 4.459261 | 0.561926 | 0.717687 | 0.186701 | 0.232429 | 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-000987 |
BRD-K03390685-001-01-7 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.190704 | 8.495405 | 0.732547 | 0.751907 | 0.510476 | 0.540168 | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | true | ACH-000987 |
BRD-K03406345-001-21-1 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.775735 | 0.260203 | 0.050561 | 0.87745 | 0.034795 | 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-000987 |
BRD-K03449891-001-08-6 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.858394 | -7.618387 | 0.138345 | 0.889392 | 1.195069 | 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-000987 |
BRD-K03765900-001-01-9 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 1.333889 | 5.611549 | 0.219798 | 1 | 0.009767 | 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-000987 |
BRD-K06814349-304-02-7 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.561687 | 4.36898 | 0.213082 | 0.887685 | 0.831803 | null | fosbretabulin | tubulin polymerization inhibitor, VE-cadherin antagonist | CDH5 | null | null | COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O | Phase 3 | true | ACH-000987 |
BRD-K08542803-001-02-3 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.061594 | 0.496615 | 0.577375 | 0.564408 | 0.118473 | 0.154377 | 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-000987 |
BRD-K08547377-001-04-4 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.76966 | 4.746425 | -0.064549 | 0.88451 | 0.077055 | 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-000987 |
BRD-K08703257-001-13-9 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.895984 | 0.164989 | 0.005128 | 0.920732 | 0.000048 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000987 |
BRD-K08799216-001-05-3 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.877571 | 0.441028 | 0.043781 | 0.960289 | 0.723377 | 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-000987 |
BRD-K09951645-001-11-8 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.616492 | 0.241196 | 0.092655 | 0.780549 | 0.020455 | 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-000987 |
BRD-K11267252-001-05-1 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 1.19436 | 0.118922 | -0.010482 | 1 | 0.00007 | 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-000987 |
BRD-K11630072-001-13-2 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.787228 | -6.477178 | 0.113247 | 0.863274 | 0.311632 | 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-000987 |
BRD-K12184916-001-19-6 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.409369 | -0.014682 | -0.012692 | 0.709512 | 0.008193 | 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-000987 |
BRD-K12343256-001-14-7 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.181035 | 0.765871 | -0.009798 | 0.615489 | 0.106572 | 0.191669 | 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-000987 |
BRD-K13049116-001-04-0 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.871287 | -2.413101 | -0.103598 | 0.962814 | 0.010064 | 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-000987 |
BRD-K13390322-001-06-3 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.36784 | 4.076574 | 0.397652 | 0.916347 | 2.772332 | 3.842364 | 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-000987 |
BRD-K13514097-001-04-6 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 1.363777 | 0.282291 | -0.112186 | 1 | 1.414329 | 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-000987 |
BRD-K13662825-001-07-5 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.233256 | 0.792984 | 0.518711 | 0.576616 | 0.011523 | 0.02545 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000987 |
BRD-K14109347-001-03-4 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.585006 | 9.832826 | 0.406025 | 0.911012 | 1.248081 | null | LY2603618 | CHK inhibitor | CHEK1 | null | null | Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1, Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 | Phase 2 | true | ACH-000987 |
BRD-K15179879-001-03-2 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.285304 | 9.48409 | 0.536119 | 0.665226 | 0.106117 | 0.116011 | 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-000987 |
BRD-K15600710-066-05-8 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.602914 | 0.522547 | -0.018022 | 0.775761 | 0.036642 | null | obatoclax | BCL inhibitor | BCL2 | null | null | COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1, COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 | Phase 3 | true | ACH-000987 |
BRD-K16730910-001-10-7 | ACH-000987 | MEWO_SKIN | MTS010 | 1 | 0.927166 | 2.412199 | -0.023136 | 0.963603 | 0.078306 | 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-000987 |
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