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-K09951645-001-11-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.981617 | 0.19846 | 0.004725 | 1 | 189.554405 | 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-000991 |
BRD-K11630072-001-13-2 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.396334 | -0.055702 | -0.111039 | 0.728555 | 0.002032 | 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-000991 |
BRD-K12184916-001-19-6 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.678653 | 0.166414 | -0.044233 | 0.775641 | 0.000381 | 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-000991 |
BRD-K12343256-001-14-7 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.65652 | 1.576385 | 0.067172 | 0.763156 | 0.012343 | null | trametinib | MEK inhibitor | MAP2K1, MAP2K2 | oncology | melanoma | CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O, CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O, CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O, CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O | Launched | true | ACH-000991 |
BRD-K13049116-001-04-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.519913 | 0.394414 | 0.159932 | 1 | 1.190374 | 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-000991 |
BRD-K13390322-001-06-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.178436 | 3.968337 | 0.655696 | 0.668777 | 0.199897 | 0.223413 | 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-000991 |
BRD-K13514097-001-04-6 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.674434 | 0.092409 | 0.059585 | 1 | 0.119475 | 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-000991 |
BRD-K13662825-001-07-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.259589 | 1.322112 | 0.464961 | 0.577349 | 0.009812 | 0.017072 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000991 |
BRD-K14109347-001-03-4 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.592594 | -0.251374 | -0.088572 | 0.870269 | 0.00267 | 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-000991 |
BRD-K15179879-001-03-2 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.318374 | 4.308834 | 0.218918 | 0.678367 | 0.102627 | 0.129815 | 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-000991 |
BRD-K15600710-066-05-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.142906 | 0.433665 | 0.22102 | 0.668422 | 0.317333 | 0.689623 | 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-000991 |
BRD-K16730910-001-10-7 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.61117 | -0.341416 | -0.037622 | 0.836312 | 0.025076 | 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-000991 |
BRD-K17555800-003-02-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.826545 | -0.163824 | -0.020848 | 0.880492 | 12.748203 | null | talmapimod | p38 MAPK inhibitor | MAPK11, MAPK14 | null | null | C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C, C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C, C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C | Phase 2 | true | ACH-000991 |
BRD-K17610631-001-03-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 21.038444 | 62.285264 | -0.001785 | 1 | 2,132.659615 | 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-000991 |
BRD-K17743125-001-08-4 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 2.192338 | 0.049749 | -0.038578 | 1 | 855,610,933,563,000,800,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000 | null | belinostat | HDAC inhibitor | HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9 | hematologic malignancy | peripheral T-cell lymphoma (PTCL) | ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 | Launched | true | ACH-000991 |
BRD-K18961567-001-01-1 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 2.180738 | 3.571669 | -0.026747 | 1 | 491.191014 | null | LY2801653 | MET inhibitor | MET | null | null | Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 | Phase 2 | true | ACH-000991 |
BRD-K19540840-001-09-4 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 4.726062 | 1.41501 | 0.293967 | 1 | 26.86315 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000991 |
BRD-K19687926-001-04-1 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.789203 | -1.266864 | 0.160762 | 0.872362 | 0.21868 | null | lapatinib | EGFR inhibitor | EGFR, ERBB2 | oncology | breast cancer | CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1, CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1, CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 | Launched | true | ACH-000991 |
BRD-K19796430-001-05-6 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.662077 | 0.986356 | 0.052025 | 0.750157 | 0.00702 | null | sonidegib | smoothened receptor antagonist | SMO | oncology | basal cell carcinoma (BCC) | C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1, C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1 | Launched | true | ACH-000991 |
BRD-K22064724-001-01-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | -2.862366 | -1.991389 | -0.039196 | 0.985365 | 0.000167 | null | napabucasin | STAT inhibitor | STAT3 | null | null | CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O, CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O | Phase 3 | true | ACH-000991 |
BRD-K22822991-001-02-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.815517 | -1.973043 | 0.065638 | 0.856291 | 1.179554 | 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-000991 |
BRD-K23228615-001-02-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.363395 | 0.334559 | 0.134531 | 0.625513 | 0.021537 | 1.041104 | GDC-0980 | mTOR inhibitor, PI3K inhibitor | FGR, MAP3K9, MTOR, PIK3CA, PIK3CB, PIK3CD, PIK3CG, SYK | null | null | C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1, C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 | Phase 2 | true | ACH-000991 |
BRD-K23984367-001-07-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 4.376771 | 3.647782 | 0.572403 | 1 | 9.494851 | 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-000991 |
BRD-K26026438-001-01-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.819089 | 5.012378 | -0.044944 | 0.862195 | 0.00616 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-000991 |
BRD-K29905972-001-06-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.880061 | 0.154453 | -0.047298 | 0.971128 | 180.964666 | 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-000991 |
BRD-K30577245-001-05-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.444733 | -0.5777 | 0.046702 | 1 | 0.000265 | null | docetaxel | tubulin polymerization inhibitor | BCL2, MAP2, MAP4, MAPT, NR1I2, TUBB, TUBB1 | oncology | breast cancer, non-small cell lung cancer (NSCLC), prostate cancer, gastric adenocarcinoma, head and neck squamous cell carcinoma (HNSCC) | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C | Launched | true | ACH-000991 |
BRD-K31698212-001-02-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.942678 | -0.142607 | -0.090782 | 0.953736 | 2,505.564033 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000991 |
BRD-K31928526-001-02-1 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.180679 | 1.253384 | -0.017238 | 1 | 0.025163 | 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-000991 |
BRD-K33379087-001-07-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | -0.177892 | -0.296933 | -0.085278 | 0.800633 | 0.000176 | null | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000991 |
BRD-K33622447-066-01-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.499645 | -1.248106 | 0.245082 | 1 | 0.008536 | null | abemaciclib | CDK inhibitor | CDK4, CDK6 | oncology | breast cancer | CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 | Launched | true | ACH-000991 |
BRD-K35520305-001-16-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.722091 | 0.513735 | 0.128397 | 1 | 1.23774 | 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-000991 |
BRD-K36627727-001-05-4 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.250928 | 0.424013 | 0.037613 | 1 | 2.927348 | 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-000991 |
BRD-K36788280-001-01-2 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.144325 | 0.202788 | 0.014134 | 1 | 198.901783 | 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-000991 |
BRD-K37379014-001-02-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.600958 | 0.29362 | 0.051468 | 0.758073 | 0.000221 | null | filanesib | kinesin inhibitor, kinesin-like spindle protein inhibitor | KIF11 | null | null | CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F, CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F | Phase 3 | true | ACH-000991 |
BRD-K38332599-001-01-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.577063 | 4.719584 | 0.160451 | 0.86339 | 0.435154 | null | 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-000991 |
BRD-K38527262-300-01-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.672036 | 0.782813 | 0.1012 | 0.848905 | 0.107192 | null | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000991 |
BRD-K38852836-001-02-1 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.516453 | 5.846153 | 0.472047 | 0.834474 | 0.090297 | null | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-000991 |
BRD-K39974922-001-04-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.998904 | -0.044191 | -0.030566 | 0.999369 | 79.42423 | 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-000991 |
BRD-K41859756-001-06-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.711415 | 1.107494 | 0.037601 | 0.81028 | 0.004153 | null | NVP-AUY922 | HSP inhibitor | HSP90AA1, HSP90AB1 | null | null | CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O, CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O, CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O | Phase 2 | true | ACH-000991 |
BRD-K42495768-001-01-7 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 2.131509 | 0.396431 | 0.027961 | 1 | 204.696351 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000991 |
BRD-K42805893-001-04-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.877862 | -1.262705 | -0.007511 | 0.971867 | 0.005433 | 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-000991 |
BRD-K42828737-001-03-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.009304 | 0.095023 | -0.004815 | 1 | 0.017239 | 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-000991 |
BRD-K42898655-001-01-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.379201 | -0.003864 | -0.037984 | 1 | 0.005553 | 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-000991 |
BRD-K43389675-001-02-1 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.19844 | 4.369989 | 0.392957 | 0.729343 | 0.377452 | 0.423751 | 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-000991 |
BRD-K44227013-001-06-4 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.662912 | 0.077319 | -0.005176 | 1 | 1.354298 | 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-000991 |
BRD-K44408410-001-17-6 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.127557 | 0.146217 | -0.020165 | 1 | 0.207284 | 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-000991 |
BRD-K44827188-001-06-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.01052 | 0.021562 | -0.017995 | 1 | 0.000028 | 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-000991 |
BRD-K49328571-001-15-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 2.720874 | 1.19566 | 0.31431 | 1 | 6.254092 | 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-000991 |
BRD-K49350383-001-14-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.18286 | 4.553681 | 0.250559 | 0.875481 | 2.279644 | 2.519338 | 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-000991 |
BRD-K50010139-001-01-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.529921 | 0.225297 | 0.059336 | 1 | 0.182905 | 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-000991 |
BRD-K50168500-001-07-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.880284 | 0.294863 | -0.043006 | 0.945123 | 0.150949 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000991 |
BRD-K51313569-001-07-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.968251 | -0.162138 | -0.076668 | 0.976283 | 84.589768 | 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-000991 |
BRD-K51791723-003-01-7 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.049203 | 0.442828 | 0.628858 | 0.522106 | 0.075628 | 0.095561 | 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-000991 |
BRD-K51967704-001-03-6 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.610144 | 0.57089 | 0.111078 | 0.770037 | 0.028886 | 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-000991 |
BRD-K52313696-001-12-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.896203 | 1.172546 | 0.428214 | 1 | 2.478676 | 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-000991 |
BRD-K53414658-001-08-2 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 2.65256 | 1.722263 | 0.322322 | 1 | 4.759259 | 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-000991 |
BRD-K53972329-001-07-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.714078 | -0.537015 | 0.130307 | 0.90256 | 0.012535 | 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-000991 |
BRD-K54997624-001-06-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.474751 | 0.197317 | 0.104238 | 1 | 0.103821 | 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-000991 |
BRD-K55187425-236-05-2 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.363283 | 1.647992 | 0.533289 | 0.678832 | 0.074826 | 0.164354 | 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-000991 |
BRD-K56343971-001-14-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.83707 | -0.124809 | 0.001508 | 0.895513 | 9.420923 | 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-000991 |
BRD-K56981171-001-02-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.903062 | -0.922451 | -0.001292 | 0.912364 | 7.158089 | 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-000991 |
BRD-K57080016-001-15-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.13729 | 5.986496 | 0.064251 | 1 | 0.282178 | 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-000991 |
BRD-K58529924-001-01-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.671042 | 6.556156 | 0.012227 | 0.782374 | 0.017264 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000991 |
BRD-K58550667-001-08-7 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.236742 | 1.723386 | 0.507467 | 0.786397 | 0.041557 | 0.060297 | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | true | ACH-000991 |
BRD-K59317601-001-05-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.462835 | 0.208584 | -0.038353 | 0.656762 | 0.004044 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000991 |
BRD-K59369769-001-22-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 2.170662 | 10.082857 | 0.12778 | 1 | 0.3843 | 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-000991 |
BRD-K60997853-001-02-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.827932 | -7.000361 | -0.296506 | 0.910425 | 0.095368 | null | PHA-848125 | CDK inhibitor, growth factor receptor inhibitor | CDK2, CDK4, CDK7, NTRK1 | null | null | CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 | Phase 2 | true | ACH-000991 |
BRD-K61192372-001-08-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.835739 | -5.146968 | 0.193818 | 0.882508 | 0.630908 | 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-000991 |
BRD-K62008436-001-23-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.390518 | 4.342788 | 0.339556 | 0.720859 | 0.007336 | 0.010407 | 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-000991 |
BRD-K62196610-001-01-6 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 2.13548 | 5.914111 | 0.526703 | 1 | 6.856424 | 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-000991 |
BRD-K62200014-003-10-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.692994 | 0.060753 | -0.070907 | 0.830508 | 0.002439 | 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-000991 |
BRD-K62627508-001-01-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.345107 | 0.461693 | 0.152067 | 1 | 0.825877 | 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-000991 |
BRD-K63504947-001-14-7 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.908002 | -0.955216 | 0.007473 | 0.990563 | 0.00099 | 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-000991 |
BRD-K63712959-001-01-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.022164 | -0.041177 | -0.051654 | 1 | 2.919931 | 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-000991 |
BRD-K64052750-001-22-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 5.627261 | 1.864777 | 0.115731 | 1 | 32.212189 | 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-000991 |
BRD-K64881305-001-03-7 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.768493 | 0.07491 | -0.004456 | 0.905894 | 12.90409 | 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-000991 |
BRD-K66175015-001-12-4 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.221461 | 7.268163 | 0.434063 | 0.93977 | 4.722777 | 5.118675 | 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-000991 |
BRD-K67844266-003-01-9 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.621857 | 4.141773 | 0.426735 | 0.809881 | 0.076031 | 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-000991 |
BRD-K69694239-001-02-2 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.186038 | 1.457201 | 0.387389 | 0.767442 | 0.632559 | 0.870533 | 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-000991 |
BRD-K69776681-001-03-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.220875 | 10.20303 | 0.274021 | 0.590822 | 0.061173 | 0.06477 | 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-000991 |
BRD-K70401845-001-15-7 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.285792 | 0.764065 | 0.190085 | 1 | 0.148621 | 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-000991 |
BRD-K73838513-003-05-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.380531 | 1.10658 | -0.052487 | 0.854626 | 1.105942 | 4.032418 | 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-000991 |
BRD-K74514084-003-09-2 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.748902 | -0.638619 | -0.053918 | 0.892889 | 0.035709 | 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-000991 |
BRD-K76210423-001-01-6 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.186944 | 0.165331 | -0.021405 | 1 | 0.008439 | 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-000991 |
BRD-K76239644-001-02-6 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.786297 | -4.223224 | 0.134791 | 0.893188 | 0.077962 | 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-000991 |
BRD-K76674262-001-03-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.324107 | 3.869948 | 0.160675 | 0.617425 | 0.04115 | 0.053903 | 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-000991 |
BRD-K76908866-001-07-6 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.151595 | -0.018824 | -0.043423 | 1 | 28,448,628,418,444.715 | 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-000991 |
BRD-K77625799-001-07-7 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.856455 | -7.461465 | 0.028816 | 0.906593 | 0.337189 | 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-000991 |
BRD-K78431006-001-15-1 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.759272 | -2.202412 | 0.111978 | 0.836999 | 0.435869 | 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-000991 |
BRD-K79254416-001-21-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.372271 | 4.134665 | 0.334192 | 1 | 0.036773 | 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-000991 |
BRD-K81418486-001-44-2 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 2.001978 | 7.463216 | 0.365778 | 1 | 1.251204 | 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-000991 |
BRD-K81473043-001-19-5 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.980616 | -0.225943 | -0.192973 | 0.987041 | 0.145822 | 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-000991 |
BRD-K82135108-001-04-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.992324 | -0.048315 | -0.198883 | 0.994173 | 1,790,256,936.004692 | null | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000991 |
BRD-K82746043-001-19-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.571159 | 0.423345 | 0.143199 | 0.749765 | 0.02717 | 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-000991 |
BRD-K82818427-001-04-8 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.116629 | -0.029918 | -0.13976 | 1 | 110,769,292,230,450,160 | 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-000991 |
BRD-K83029223-001-01-3 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 1.111594 | 0.016737 | -0.003347 | 1 | 58.731471 | 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-000991 |
BRD-K83988098-001-02-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 12.989169 | 3.692416 | -0.114582 | 1 | 161.939675 | 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-000991 |
BRD-K85606544-001-09-1 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.788715 | -1.055924 | 0.108356 | 0.832896 | 1.478778 | 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-000991 |
BRD-K86972824-001-01-4 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 38.354147 | 0.140138 | -0.001329 | 1 | 207,009,439,975,215,630,000,000,000,000,000,000,000,000,000,000,000,000,000,000 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000991 |
BRD-K87737963-001-06-0 | ACH-000991 | SNU81_LARGE_INTESTINE | MTS010 | 1 | 0.371224 | 3.991554 | 0.347373 | 0.888362 | 1.785675 | 2.508377 | 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-000991 |
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