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-K41859756-001-06-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.462428 | 1.7548 | 0.596756 | 0.826076 | 0.108593 | 0.47467 | 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-000957 |
BRD-K42495768-001-01-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.815661 | 2.09793 | 0.299526 | 0.986205 | 5.438451 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000957 |
BRD-K42805893-001-04-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.666182 | 1.715905 | 0.475248 | 0.879164 | 0.298516 | 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-000957 |
BRD-K42828737-001-03-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.027991 | 0.076597 | -0.035719 | 1 | 687.231166 | 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-000957 |
BRD-K42898655-001-01-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.995314 | -0.558036 | 0.00412 | 0.997421 | 0.008547 | 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-000957 |
BRD-K43389675-001-02-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.160097 | 3.571544 | 0.739717 | 0.881246 | 2.540954 | 2.830905 | 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-000957 |
BRD-K44227013-001-06-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.64833 | 3.487705 | -0.024962 | 1 | 197.41807 | 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-000957 |
BRD-K44408410-001-17-6 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.061556 | -0.178695 | -0.020752 | 1 | 0.004741 | null | 2-methoxyestradiol | hypoxia inducible factor inhibitor | COMT, CYP19A1, CYP1A1, CYP1B1, HIF1A, TUBB | null | null | COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O | Phase 2 | true | ACH-000957 |
BRD-K44827188-001-06-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.021755 | 0.205456 | -0.023584 | 1 | 0.01237 | 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-000957 |
BRD-K46386702-001-02-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.787204 | -0.336922 | 0.178819 | 0.884859 | 0.141317 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-000957 |
BRD-K49328571-001-15-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.955134 | -1.27863 | 0.051204 | 0.980801 | 0.038677 | 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-000957 |
BRD-K50010139-001-01-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.568902 | 0.190459 | 0.044543 | 0.793139 | 0.122877 | 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-000957 |
BRD-K50168500-001-07-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.718902 | 0.005661 | -0.004696 | 0.859329 | 0.057481 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000957 |
BRD-K51791723-003-01-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.040404 | 0.760166 | 0.528888 | 0.732106 | 0.791594 | 0.884387 | 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-000957 |
BRD-K51967704-001-03-6 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.655087 | 3.114523 | 0.496135 | 0.925579 | 1.232598 | null | 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-000957 |
BRD-K52313696-001-12-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | -0.999093 | 0.259898 | -0.048799 | 0.936219 | 97,937.564335 | 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-000957 |
BRD-K53414658-001-08-2 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.849548 | 0.198271 | -0.061221 | 0.915265 | 0.019674 | 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-000957 |
BRD-K53972329-001-07-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.78019 | -0.323452 | 0.030195 | 0.948765 | 0.001032 | 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-000957 |
BRD-K54256913-001-08-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.687109 | -1.057113 | 0.068242 | 0.971859 | 0.000904 | 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-000957 |
BRD-K54955827-001-02-2 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.917527 | 0.132408 | -0.043915 | 0.950362 | 0.003101 | 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-000957 |
BRD-K54997624-001-06-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.853515 | 0.131234 | -0.007914 | 0.927405 | 0.089769 | 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-000957 |
BRD-K56981171-001-02-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.918687 | -0.624029 | 0.060598 | 0.963125 | 0.047467 | 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-000957 |
BRD-K57080016-001-15-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.272395 | 0.643039 | 0.569825 | 0.792756 | 0.825631 | 2.807399 | 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-000957 |
BRD-K57169635-001-04-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.792824 | -0.009305 | -0.029731 | 0.89608 | 0.155544 | null | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-000957 |
BRD-K58435339-001-03-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.730321 | 0.443499 | 0.226788 | 0.856931 | 0.053712 | null | AT13387 | HSP antagonist | HSP90AA1 | null | null | CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O, CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O | Phase 2 | true | ACH-000957 |
BRD-K58529924-001-01-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.068526 | -0.450999 | 0.011733 | 1 | 0.019037 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000957 |
BRD-K59317601-001-05-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.543976 | 1.50632 | 0.60639 | 0.854242 | 0.452447 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000957 |
BRD-K59369769-001-22-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.817509 | -0.180663 | 0.040572 | 0.930291 | 0.004617 | 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-000957 |
BRD-K60997853-001-02-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.302513 | 15.792397 | 0.523176 | 0.954372 | 5.300117 | 5.621235 | 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-000957 |
BRD-K61192372-001-08-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.87282 | -0.306072 | 0.024384 | 0.921845 | 0.467209 | 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-000957 |
BRD-K62008436-001-23-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.104169 | 0.377151 | 0.03206 | 1 | 0.02423 | 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-000957 |
BRD-K62200014-003-10-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.870632 | -0.405484 | 0.096211 | 0.926474 | 0.188852 | 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-000957 |
BRD-K62391742-001-09-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.866018 | -3.825617 | 0.421842 | 0.914414 | 0.300343 | 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-000957 |
BRD-K62627508-001-01-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.067705 | 0.585691 | 0.77997 | 0.574676 | 0.125995 | 0.161526 | 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-000957 |
BRD-K63504947-001-14-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.725135 | 0.15593 | 0.13116 | 0.86408 | 0.090547 | 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-000957 |
BRD-K63712959-001-01-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.915168 | 0.582036 | -0.057659 | 0.990967 | 13.768396 | 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-000957 |
BRD-K64052750-001-22-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.621219 | 0.494097 | 0.209747 | 0.867986 | 0.472753 | 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-000957 |
BRD-K64881305-001-03-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.159395 | -0.023279 | -0.049424 | 1 | 1.037576 | null | 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-000957 |
BRD-K66175015-001-12-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.462386 | 0.682162 | 0.229619 | 0.895484 | 2.416902 | null | 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-000957 |
BRD-K69001009-001-02-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.294138 | 8.071365 | 0.475047 | 0.995757 | 10.650201 | 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-000957 |
BRD-K69694239-001-02-2 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.484352 | 0.517032 | -0.034054 | 0.650606 | 0.009706 | 7.887136 | 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-000957 |
BRD-K69776681-001-03-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.279282 | 1.286446 | 0.188564 | 0.826313 | 1.003145 | 1.894173 | 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-000957 |
BRD-K70401845-001-15-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.950215 | -6.386131 | 0.102784 | 0.968389 | 0.289353 | 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-000957 |
BRD-K73838513-003-05-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.156404 | 6.066825 | 0.664772 | 0.931461 | 4.551705 | 4.842045 | 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-000957 |
BRD-K74514084-003-09-2 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.030653 | 0.018863 | 0.000002 | 1 | 37,196.991469 | 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-000957 |
BRD-K75009076-001-02-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | -0.220042 | 2.047667 | 0.664638 | 0.923353 | 6.411385 | 5.365391 | 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-000957 |
BRD-K76239644-001-02-6 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.714934 | 0.58043 | 0.151823 | 0.882722 | 0.207012 | 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-000957 |
BRD-K76674262-001-03-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.311679 | 0.843447 | 0.709385 | 0.731522 | 0.236678 | 0.753255 | 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-000957 |
BRD-K76908866-001-07-6 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.876991 | -0.027253 | -0.002261 | 0.929992 | 2,156.634494 | 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-000957 |
BRD-K77625799-001-07-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.517596 | 0.38871 | 0.308219 | 0.855206 | 1.221591 | 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-000957 |
BRD-K78431006-001-15-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.866039 | -4.198178 | 0.278675 | 0.929393 | 0.101572 | null | 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-000957 |
BRD-K79254416-001-21-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.157898 | 2.485198 | 0.179394 | 1 | 0.094154 | 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-000957 |
BRD-K81016934-001-02-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.000616 | -0.269156 | -0.036301 | 1 | 0.017422 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000957 |
BRD-K81418486-001-44-2 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.796232 | -0.646517 | 0.026175 | 0.864999 | 0.449961 | 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-000957 |
BRD-K81473043-001-19-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.499322 | 0.615231 | 0.466582 | 0.85202 | 0.046998 | null | 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-000957 |
BRD-K82135108-001-04-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.204535 | 4.94549 | 0.229626 | 0.866408 | 1.959787 | 2.179742 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000957 |
BRD-K82746043-001-19-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.237265 | 0.077668 | -0.011024 | 1 | 962,313.135747 | 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-000957 |
BRD-K82818427-001-04-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.603672 | 1.444753 | 0.473877 | 1 | 2.320852 | 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-000957 |
BRD-K83029223-001-01-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.373197 | 0.5758 | 0.203019 | 1 | 0.04949 | 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-000957 |
BRD-K83988098-001-02-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.741526 | 1.516512 | 0.033664 | 0.903201 | 0.00413 | 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-000957 |
BRD-K85402309-043-01-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.674215 | -0.003219 | -0.030616 | 0.824885 | 7,560,950,958,809,335,000 | 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-000957 |
BRD-K86118762-001-01-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.863465 | -1.289443 | 0.098171 | 0.918652 | 0.198796 | 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-000957 |
BRD-K86972824-001-01-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.998677 | -0.171405 | -0.001614 | 0.999481 | 0.005231 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000957 |
BRD-K87737963-001-06-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.000376 | -0.200005 | -0.00345 | 1 | 1.334605 | 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-000957 |
BRD-K87782578-001-01-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 6.802532 | 0.790479 | -0.039598 | 1 | 6,775,399.426707 | 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-000957 |
BRD-K87909389-003-03-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.290339 | 4.17235 | 0.87684 | 0.722597 | 0.225168 | 0.277314 | 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-000957 |
BRD-K88510285-001-17-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.207301 | 2.876493 | 0.727007 | 0.795549 | 0.204825 | 0.246734 | 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-000957 |
BRD-K89014967-001-04-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.420799 | 1.663907 | 0.746002 | 0.734495 | 0.116982 | 0.354044 | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000957 |
BRD-K92441787-001-04-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.877852 | -0.197515 | 0.047364 | 0.944849 | 0.027083 | 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-000957 |
BRD-K95142244-001-01-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.835965 | -0.073985 | -0.062462 | 0.879628 | 80,185.400206 | 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-000957 |
BRD-K96123349-236-02-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.960158 | -0.256595 | -0.003287 | 0.972952 | 2.050429 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000957 |
BRD-K98572433-001-02-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.844521 | -2.156438 | -0.029106 | 0.903472 | 0.252382 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000957 |
BRD-K99113996-001-02-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.920915 | 1.455755 | 0.00946 | 0.96798 | 0.197008 | 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-000957 |
BRD-K99616396-001-05-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.839151 | -0.309005 | 0.011052 | 0.97789 | 0.000089 | 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-000957 |
BRD-M97302542-001-04-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.891854 | 0.997636 | 0.132282 | 0.961051 | 0.312392 | 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-000957 |
BRD-K03390685-001-01-7 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 1.006473 | -0.701615 | -0.495056 | 1 | 0.248369 | 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-000958 |
BRD-K03406345-001-21-1 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.516942 | 0.635998 | 0.297204 | 0.711203 | 0.027412 | 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-000958 |
BRD-K05804044-001-18-5 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.998881 | -0.806863 | -0.256789 | 0.999304 | 0.268958 | null | AZ-628 | RAF inhibitor | BRAF, RAF1 | null | null | Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 | Preclinical | true | ACH-000958 |
BRD-K08547377-001-04-4 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.060722 | 0.091084 | -0.17344 | 0.714292 | 791.942003 | 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-000958 |
BRD-K08703257-001-13-9 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.715601 | -0.184273 | -0.497857 | 0.805079 | 6.956529 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000958 |
BRD-K09951645-001-11-8 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.408562 | -0.125647 | -0.188896 | 0.650029 | 1.63855 | 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-000958 |
BRD-K17610631-001-03-3 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.638913 | 1.148983 | 0.172926 | 0.844964 | 0.151029 | null | indisulam | CDK inhibitor | CA1, CA12, CA14, CA2, CA6, CA7, CA9 | null | null | NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 | Phase 2 | true | ACH-000958 |
BRD-K22822991-001-02-3 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.777759 | 0.137057 | 0.013401 | 0.846232 | 0.000174 | 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-000958 |
BRD-K23984367-001-07-5 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.654777 | 1.955288 | 0.558143 | 0.873093 | 0.282394 | 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-000958 |
BRD-K29905972-001-06-3 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.088671 | 0.135065 | -0.043388 | 0.658392 | 3.930973 | 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-000958 |
BRD-K31928526-001-02-1 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.625014 | 3.85903 | 0.555051 | 0.828326 | 0.117614 | 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-000958 |
BRD-K36788280-001-01-2 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.999379 | -0.178042 | -0.004442 | 0.999654 | 0.30572 | 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-000958 |
BRD-K38527262-300-01-0 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.261028 | 0.628725 | 0.046438 | 0.935517 | 5.425162 | null | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000958 |
BRD-K42495768-001-01-7 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.602291 | 1.65903 | 0.123774 | 0.92924 | 1.842887 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000958 |
BRD-K42828737-001-03-3 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.728422 | 12.789468 | 0.286111 | 0.84161 | 0.019543 | 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-000958 |
BRD-K43389675-001-02-1 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.604216 | 0.577031 | 0.591898 | 0.813117 | 0.105962 | null | daunorubicin | RNA synthesis inhibitor, topoisomerase inhibitor | TOP2A, TOP2B | hematologic malignancy | acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL) | COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O | Launched | true | ACH-000958 |
BRD-K44408410-001-17-6 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 1.165102 | 1.012029 | 0.04469 | 1 | 0.014704 | null | 2-methoxyestradiol | hypoxia inducible factor inhibitor | COMT, CYP19A1, CYP1A1, CYP1B1, HIF1A, TUBB | null | null | COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O | Phase 2 | true | ACH-000958 |
BRD-K46386702-001-02-1 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.644227 | -3.427037 | 0.325039 | 0.821957 | 0.078437 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-000958 |
BRD-K50168500-001-07-9 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.611032 | -0.032808 | -0.033461 | 0.797155 | 1.081231 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000958 |
BRD-K53414658-001-08-2 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.631231 | -3.715308 | 0.216128 | 0.921218 | 0.004849 | 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-000958 |
BRD-K54955827-001-02-2 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 1.108788 | -0.503706 | -0.037892 | 1 | 0.022087 | 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-000958 |
BRD-K56981171-001-02-8 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.743449 | 8.895719 | 0.256164 | 0.798545 | 0.004903 | 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-000958 |
BRD-K58529924-001-01-5 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.738187 | -10.850039 | 0.27026 | 0.86897 | 0.08317 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000958 |
BRD-K62200014-003-10-5 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.664849 | -3.205253 | 0.386007 | 0.779565 | 0.360912 | 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-000958 |
BRD-K62391742-001-09-7 | ACH-000958 | SW48_LARGE_INTESTINE | MTS010 | 1 | 0.874378 | -0.929936 | 0.128959 | 0.981186 | 0.001892 | 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-000958 |
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