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-K08799216-001-05-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.340543 | 3.245311 | 0.131251 | 0.789519 | 0.451643 | 0.642302 | 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-000976 |
BRD-K09951645-001-11-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.485269 | 1.860223 | 0.668908 | 0.781366 | 0.162147 | 1.0784 | 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-000976 |
BRD-K11267252-001-05-1 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.856905 | 0.479725 | 0.00255 | 0.912861 | 0.021295 | 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-000976 |
BRD-K11630072-001-13-2 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.733916 | 2.682502 | 0.093075 | 0.941875 | 1.201916 | 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-000976 |
BRD-K12343256-001-14-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.206244 | 4.471997 | 0.845902 | 0.420261 | 0.00835 | 0.009405 | 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-000976 |
BRD-K13049116-001-04-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.921981 | 0.267397 | -0.09823 | 0.961395 | 0.085295 | 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-000976 |
BRD-K13390322-001-06-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.15864 | 8.751778 | 0.822216 | 0.779578 | 0.786733 | 0.82179 | 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-000976 |
BRD-K13514097-001-04-6 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.605685 | 0.160195 | 0.141955 | 0.789377 | 0.031865 | 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-000976 |
BRD-K13662825-001-07-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.082794 | 0.675215 | 0.941214 | 0.579658 | 0.030274 | 0.039583 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000976 |
BRD-K14109347-001-03-4 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.243523 | 1.918032 | 0.778929 | 0.857911 | 1.64184 | 2.325342 | 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-000976 |
BRD-K15179879-001-03-2 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.149208 | 2.81199 | 0.867546 | 0.341614 | 0.005472 | 0.006207 | 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-000976 |
BRD-K15600710-066-05-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.577028 | 0.804575 | 0.173715 | 0.85239 | 0.358462 | 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-000976 |
BRD-K16730910-001-10-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.906364 | 0.194433 | 0.015218 | 0.980974 | 137.326185 | 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-000976 |
BRD-K17555800-003-02-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.122425 | 0.018748 | -0.001327 | 1 | 0.08533 | 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-000976 |
BRD-K17610631-001-03-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.870542 | 0.413804 | 0.128939 | 0.935468 | 0.077136 | 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-000976 |
BRD-K17743125-001-08-4 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.349521 | 0.74288 | -0.05456 | 0.825808 | 0.911982 | 4.591723 | 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-000976 |
BRD-K17894950-001-14-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.131042 | -0.484398 | 0.040188 | 1 | 0.003773 | null | indirubin | CDK inhibitor, glycogen synthase kinase inhibitor | CDK1, CDK5, GSK3A | null | null | O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O | Phase 2/Phase 3 | true | ACH-000976 |
BRD-K18961567-001-01-1 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.932804 | -0.173361 | -0.119361 | 0.956474 | 3.198119 | 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-000976 |
BRD-K19540840-001-09-4 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.612897 | 0.233592 | 0.064273 | 0.916129 | 31.74458 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000976 |
BRD-K19687926-001-04-1 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.965409 | -0.555062 | 0.016715 | 0.986548 | 0.022448 | 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-000976 |
BRD-K19796430-001-05-6 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.029925 | 0.157903 | -0.020089 | 1 | 0.002526 | 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-000976 |
BRD-K22064724-001-01-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.139836 | 5.034146 | 0.840082 | 0.75811 | 0.652795 | 0.69674 | 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-000976 |
BRD-K22822991-001-02-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.0561 | 0.145422 | -0.019419 | 1 | 1.377751 | 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-000976 |
BRD-K23228615-001-02-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.208189 | 0.528492 | 0.610067 | 0.784342 | 1.163321 | 3.222688 | 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-000976 |
BRD-K23984367-001-07-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.859523 | 2.446869 | 0.201121 | 0.96651 | 0.990442 | 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-000976 |
BRD-K26026438-001-01-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.906373 | -0.337375 | 0.019899 | 0.953987 | 0.069064 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-000976 |
BRD-K26657438-001-15-2 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.727698 | 0.294106 | -0.028208 | 0.888444 | 0.330844 | null | imiquimod | interferon inducer, toll-like receptor agonist | TLR7, TLR8 | dermatology, infectious disease, oncology | actinic keratosis (AK), genital warts, basal cell carcinoma (BCC) | CC(C)Cn1cnc2c(N)nc3ccccc3c12, CC(C)Cn1cnc2c(N)nc3ccccc3c12, CC(C)Cn1cnc2c(N)nc3ccccc3c12 | Launched | true | ACH-000976 |
BRD-K28822270-001-03-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.749448 | 3.21434 | 0.434397 | 0.904107 | 0.255138 | null | resminostat | HDAC inhibitor | HDAC1, HDAC3, HDAC6, HDAC8 | null | null | CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)\C=C\C(=O)NO, CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)\C=C\C(=O)NO | Phase 2 | true | ACH-000976 |
BRD-K29905972-001-06-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.839579 | 1.650172 | 0.283591 | 0.926766 | 0.11915 | 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-000976 |
BRD-K30577245-001-05-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.75408 | -4.223053 | 0.529458 | 0.831579 | 0.045483 | 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-000976 |
BRD-K31698212-001-02-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.758584 | 0.27513 | 0.143423 | 0.913328 | 0.862622 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000976 |
BRD-K31928526-001-02-1 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.913867 | 2.841417 | 0.060404 | 0.983865 | 1.626902 | 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-000976 |
BRD-K33379087-001-07-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.87019 | 0.924256 | 0.009588 | 0.904897 | 0.007381 | null | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000976 |
BRD-K33610132-001-02-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.901969 | 0.133526 | -0.124869 | 0.956862 | 0.505336 | null | rociletinib | EGFR inhibitor | EGFR | null | null | COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O | Phase 3 | true | ACH-000976 |
BRD-K33622447-066-01-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.781338 | 0.463604 | 0.261774 | 0.886187 | 0.061076 | 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-000976 |
BRD-K35520305-001-16-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.607644 | -0.528179 | -0.376718 | 0.865187 | 0.012805 | 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-000976 |
BRD-K36627727-001-05-4 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.76099 | 0.143468 | 0.037166 | 0.896373 | 0.542057 | 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-000976 |
BRD-K36788280-001-01-2 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.837559 | -0.074202 | -0.019997 | 0.917127 | 0.135983 | 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-000976 |
BRD-K37379014-001-02-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.898075 | -4.890729 | 0.144094 | 0.934463 | 0.004881 | 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-000976 |
BRD-K38332599-001-01-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.008382 | 0.29339 | -0.13506 | 1 | 0.652816 | 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-000976 |
BRD-K38527262-300-01-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.374915 | 2.965329 | 0.753651 | 0.866452 | 1.15858 | 1.84867 | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000976 |
BRD-K38852836-001-02-1 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.507129 | 1.223111 | 0.754473 | 0.703759 | 0.00729 | 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-000976 |
BRD-K39974922-001-04-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.865489 | -0.222867 | 0.067793 | 0.937656 | 0.038048 | 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-000976 |
BRD-K41859756-001-06-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.592973 | 14.032646 | 0.762269 | 0.763078 | 0.008821 | 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-000976 |
BRD-K42495768-001-01-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.565824 | 3.402132 | 0.472029 | 0.967698 | 4.987459 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000976 |
BRD-K42805893-001-04-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.317815 | 3.543784 | -0.067489 | 1 | 256.158929 | 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-000976 |
BRD-K42828737-001-03-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.127188 | -0.415186 | 0.076558 | 1 | 0.879027 | 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-000976 |
BRD-K42898655-001-01-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.618898 | 0.01806 | -0.173789 | 0.810351 | 0.008245 | 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-000976 |
BRD-K43389675-001-02-1 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.075828 | 6.184434 | 0.818248 | 0.822855 | 1.556447 | 1.598395 | 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-000976 |
BRD-K44227013-001-06-4 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.233317 | 3.986995 | 0.798635 | 0.797945 | 0.774906 | 0.907227 | 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-000976 |
BRD-K44408410-001-17-6 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.965402 | 0.528436 | 0.004974 | 0.972811 | 0.00234 | 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-000976 |
BRD-K44827188-001-06-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.809956 | 0.862145 | 0.265204 | 0.960216 | 1.633123 | 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-000976 |
BRD-K46386702-001-02-1 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.068438 | 0.479568 | -0.209307 | 1 | 0.01391 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-000976 |
BRD-K49328571-001-15-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.361932 | 1.343753 | 0.653688 | 0.688269 | 0.087307 | 0.227485 | 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-000976 |
BRD-K49350383-001-14-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.162408 | 0.366491 | 0.193992 | 1 | 0.128018 | null | thioguanine | purine antagonist | IMPDH1, IMPDH2 | hematologic malignancy | acute myeloid leukemia (AML) | Nc1nc2nc[nH]c2c(=S)[nH]1, Nc1nc2nc[nH]c2c(=S)[nH]1, Nc1nc2nc[nH]c2c(=S)[nH]1 | Launched | true | ACH-000976 |
BRD-K50010139-001-01-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.617799 | 0.379523 | 0.079025 | 0.845648 | 0.285756 | 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-000976 |
BRD-K50168500-001-07-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.604496 | 0.585436 | -0.04523 | 0.846946 | 0.271074 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000976 |
BRD-K51313569-001-07-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.660931 | 0.460825 | 0.398488 | 0.818785 | 0.051586 | 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-000976 |
BRD-K51791723-003-01-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.252221 | 6.769534 | 0.75705 | 0.84216 | 1.289362 | 1.430263 | 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-000976 |
BRD-K51967704-001-03-6 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.945533 | 0.065897 | -0.055242 | 0.971288 | 0.01481 | 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-000976 |
BRD-K52313696-001-12-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.012431 | -0.018978 | -0.00662 | 1 | 0.002304 | 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-000976 |
BRD-K53414658-001-08-2 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.029578 | 0.204845 | -0.035701 | 1 | 0.009198 | 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-000976 |
BRD-K53972329-001-07-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.972553 | -0.032279 | -0.001512 | 0.986235 | 0.094 | 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-000976 |
BRD-K54256913-001-08-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.451063 | 1.318973 | 0.70456 | 0.779174 | 0.202434 | 1.179034 | 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-000976 |
BRD-K54955827-001-02-2 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.976186 | -0.067434 | -0.010496 | 0.989351 | 0.003273 | 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-000976 |
BRD-K54997624-001-06-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.996263 | -0.337507 | -0.002847 | 0.998426 | 0.024949 | 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-000976 |
BRD-K56343971-001-14-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.62445 | 0.434937 | -0.165694 | 0.818283 | 0.095372 | 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-000976 |
BRD-K56981171-001-02-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.870497 | 1.608027 | 0.031688 | 0.91423 | 0.016116 | 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-000976 |
BRD-K57080016-001-15-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.197653 | 1.981179 | 0.889634 | 0.606627 | 0.085831 | 0.110641 | 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-000976 |
BRD-K57169635-001-04-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.368444 | 0.421707 | 0.436163 | 0.742419 | 0.467962 | null | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-000976 |
BRD-K58435339-001-03-0 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.244919 | 0.203128 | -0.00415 | 0.706526 | 0.864649 | 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-000976 |
BRD-K58529924-001-01-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.974757 | -0.074968 | -0.011603 | 0.986868 | 0.246501 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000976 |
BRD-K58550667-001-08-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.321323 | 2.900098 | 0.879985 | 0.869207 | 0.096438 | 0.137514 | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | true | ACH-000976 |
BRD-K59317601-001-05-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.480384 | 0.874733 | 0.73889 | 0.666825 | 0.01886 | 0.764336 | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000976 |
BRD-K59369769-001-22-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.712748 | 4.040175 | 0.511375 | 0.902895 | 0.376046 | 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-000976 |
BRD-K60866521-001-07-1 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.790455 | 0.652028 | -0.061368 | 0.910962 | 0.173099 | 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-000976 |
BRD-K60997853-001-02-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.14715 | 0.74609 | 0.642375 | 0.776029 | 0.96499 | 1.539644 | 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-000976 |
BRD-K61192372-001-08-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.726968 | -0.299624 | 0.138019 | 0.913403 | 0.003995 | 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-000976 |
BRD-K62008436-001-23-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.662348 | 6.510624 | 0.409223 | 0.687481 | 0.000078 | 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-000976 |
BRD-K62196610-001-01-6 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.817433 | 2.928256 | 0.29907 | 0.950885 | 0.734887 | 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-000976 |
BRD-K62200014-003-10-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.914939 | -0.639513 | 0.040939 | 0.978967 | 0.004667 | 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-000976 |
BRD-K62391742-001-09-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.795945 | 0.188105 | -0.010438 | 0.924653 | 1.627427 | 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-000976 |
BRD-K62627508-001-01-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.88013 | -0.978002 | 0.098354 | 0.960752 | 0.013988 | 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-000976 |
BRD-K63504947-001-14-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.944602 | -0.166517 | -0.226501 | 0.961799 | 12.037721 | 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-000976 |
BRD-K63712959-001-01-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.30526 | 0.462359 | 0.346606 | 1 | 0.656153 | 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-000976 |
BRD-K64052750-001-22-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.891523 | -8.395129 | 0.268254 | 0.915099 | 1.213463 | 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-000976 |
BRD-K64881305-001-03-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.745898 | -1.720833 | 0.050808 | 0.97959 | 0.001115 | 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-000976 |
BRD-K66175015-001-12-4 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.459302 | 0.542373 | 0.592312 | 0.811697 | 0.441961 | 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-000976 |
BRD-K67844266-003-01-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.675779 | 0.717051 | 0.553435 | 0.797542 | 0.021378 | 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-000976 |
BRD-K69001009-001-02-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.629465 | 1.05286 | 0.143888 | 0.903645 | 0.858611 | 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-000976 |
BRD-K69694239-001-02-2 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.477106 | 11.569017 | 0.857475 | 0.887931 | 1.249384 | 1.63101 | 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-000976 |
BRD-K69776681-001-03-8 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.327224 | 3.195393 | 0.324708 | 1 | 0.698109 | null | 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-000976 |
BRD-K70301465-001-05-9 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.10497 | 0.040917 | -0.005647 | 1 | 63.844392 | 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-000976 |
BRD-K70401845-001-15-7 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.382389 | 2.122708 | 0.680908 | 0.919003 | 2.893859 | 5.722254 | 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-000976 |
BRD-K73838513-003-05-5 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.32855 | 4.42447 | 0.682589 | 0.973827 | 7.179573 | 9.144589 | 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-000976 |
BRD-K74514084-003-09-2 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.863817 | -0.063194 | -0.039867 | 0.919125 | 33.437379 | 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-000976 |
BRD-K75009076-001-02-1 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.334753 | 1.708575 | 0.723209 | 0.897543 | 2.35217 | 4.496618 | 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-000976 |
BRD-K76210423-001-01-6 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.92557 | -0.013798 | -0.040379 | 0.964706 | 0.000044 | 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-000976 |
BRD-K76239644-001-02-6 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 1.053066 | 0.400546 | -0.09211 | 1 | 0.128807 | 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-000976 |
BRD-K76674262-001-03-3 | ACH-000976 | HUCCT1_BILIARY_TRACT | MTS010 | 1 | 0.283414 | 4.190901 | 0.430579 | 0.888506 | 2.21015 | 2.698516 | 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-000976 |
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