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-K76674262-001-03-3 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.408189 | 0.142513 | -0.074983 | 1 | 0.454719 | null | 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-000970 |
BRD-K76908866-001-07-6 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.548401 | -1.026173 | 0.022173 | 1 | 0.00431 | 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-000970 |
BRD-K79254416-001-21-8 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.858498 | 0.677354 | 0.406766 | 1 | 0.119453 | 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-000970 |
BRD-K81016934-001-02-0 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.078487 | -16.733239 | 0.036626 | 1 | 5.252293 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000970 |
BRD-K81418486-001-44-2 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 2.227403 | 0.273011 | 0.056734 | 1 | 745.130683 | 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-000970 |
BRD-K81473043-001-19-5 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.322445 | 0.060931 | 0.001778 | 1 | 0.000001 | 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-000970 |
BRD-K82135108-001-04-3 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.310479 | -19.148073 | 0.143567 | 1 | 1.009115 | 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-000970 |
BRD-K82746043-001-19-3 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.537818 | 5.438666 | 0.580092 | 0.822532 | 0.102513 | 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-000970 |
BRD-K82818427-001-04-8 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.623657 | 5.267174 | 0.092257 | 0.900657 | 0.771719 | 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-000970 |
BRD-K83029223-001-01-3 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.905244 | -0.923771 | -0.171804 | 0.916896 | 0.293174 | 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-000970 |
BRD-K83988098-001-02-0 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.703746 | 54.180024 | 0.370861 | 1 | 0.136478 | 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-000970 |
BRD-K85402309-043-01-9 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.009939 | -0.25589 | -0.055443 | 1 | 0.18289 | 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-000970 |
BRD-K85606544-001-09-1 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.578601 | 0.536894 | 0.098277 | 1 | 2.041426 | 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-000970 |
BRD-K86118762-001-01-8 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.988817 | -0.173009 | -0.035479 | 0.992298 | 18.567984 | 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-000970 |
BRD-K86972824-001-01-4 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.86268 | -2.952561 | 0.017055 | 0.902037 | 0.619579 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000970 |
BRD-K87737963-001-06-0 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.319083 | 0.052397 | -0.038851 | 1 | 0.11266 | 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-000970 |
BRD-K87782578-001-01-4 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.195075 | 0.453703 | 0.061899 | 1 | 0.02801 | 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-000970 |
BRD-K87909389-003-03-4 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.588069 | 1.20084 | 0.29286 | 0.668057 | 0.002697 | null | 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-000970 |
BRD-K88510285-001-17-8 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.292202 | -0.270751 | 0.032886 | 1 | 0.009475 | null | 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-000970 |
BRD-K89014967-001-04-3 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.295409 | 0.923295 | 0.56612 | 0.486238 | 0.007656 | 0.020153 | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000970 |
BRD-K92441787-001-04-1 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.882663 | -6.029441 | -0.012644 | 0.935944 | 0.121951 | 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-000970 |
BRD-K92723993-001-17-4 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.195324 | 1.507709 | 0.063373 | 1 | 0.291424 | null | imatinib | Bcr-Abl kinase inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor | ABL1, CSF1R, DDR1, KIT, NTRK1, PDGFRA, PDGFRB, RET | hematologic malignancy, oncology | chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL), myelodysplastic diseases (MDS), aggressive systemic mastocytosis (ASM), hypereosinophilic syndrome (HES), chronic eosinophilic leukemia (CEL), dermatofibrosarcoma protuberans (DFSP), gastrointestinal stromal tumors (GIST) | CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 | Launched | true | ACH-000970 |
BRD-K95142244-001-01-5 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.495143 | 2.453189 | 0.492087 | 1 | 0.019515 | 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-000970 |
BRD-K96123349-236-02-8 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.765327 | 0.670934 | 0.604451 | 1 | 0.487894 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000970 |
BRD-K98572433-001-02-9 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.863737 | -1.209161 | -0.185554 | 0.947124 | 0.026138 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000970 |
BRD-K99113996-001-02-0 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 2.747607 | 3.928035 | 0.643978 | 1 | 0.659527 | 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-000970 |
BRD-K99616396-001-05-1 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.126659 | -0.184942 | -0.017995 | 1 | 0.003007 | 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-000970 |
BRD-K99749624-001-07-0 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 0.912473 | 0.114634 | 0.003149 | 0.936118 | 0.000011 | null | linifanib | PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | CSF1, CSF1R, FLT1, FLT3, FLT4, KDR, KIT, PDGFRB, RET, TEK | null | null | Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 | Phase 3 | true | ACH-000970 |
BRD-M97302542-001-04-4 | ACH-000970 | SNUC5_LARGE_INTESTINE | MTS010 | 1 | 1.032065 | -0.03234 | -0.084341 | 1 | 226.92539 | 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-000970 |
BRD-A25234499-001-19-1 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.164448 | -2.697141 | 0.1164 | 1 | 0.010384 | null | aminoglutethimide | glucocorticoid receptor antagonist | CYP11A1, CYP19A1 | endocrinology, oncology | Cushing's syndrome, breast cancer | CCC1(CCC(=O)NC1=O)c1ccc(N)cc1, CCC1(CCC(=O)NC1=O)c1ccc(N)cc1, CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 | Launched | true | ACH-000971 |
BRD-A70858459-001-01-7 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.584638 | -0.126943 | 0.031366 | 0.840988 | 0.001616 | null | estramustine | DNA alkylating agent | ESR1, ESR2, MAP1A, MAP2 | oncology | prostate cancer | C[C@]12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CC[C@@H]2O | Launched | true | ACH-000971 |
BRD-A74914197-001-02-9 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.671377 | 0.94363 | 0.403592 | 0.841159 | 0.005755 | null | pralatrexate | dihydrofolate reductase inhibitor | DHFR, TYMS | hematologic malignancy | peripheral T-cell lymphoma (PTCL) | Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 | Launched | true | ACH-000971 |
BRD-K02113016-001-19-6 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.548008 | 0.400886 | 0.080868 | 0.794304 | 0.139832 | null | olaparib | PARP inhibitor | PARP1, PARP2 | oncology | ovarian cancer | Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1, Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 | Launched | true | ACH-000971 |
BRD-K02130563-001-11-4 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.162717 | 2.239961 | 0.712369 | 0.512693 | 0.035237 | 0.042008 | panobinostat | HDAC inhibitor | HDAC1, HDAC2, HDAC3, HDAC4, HDAC6, HDAC7, HDAC8, HDAC9 | hematologic malignancy | multiple myeloma | Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1, Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1, Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1, Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 | Launched | true | ACH-000971 |
BRD-K03390685-001-01-7 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.121374 | 4.88172 | 0.709296 | 0.871437 | 2.4176 | 2.559289 | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | true | ACH-000971 |
BRD-K03406345-001-21-1 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.655082 | 0.583672 | 0.271136 | 0.748653 | 0.005762 | 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-000971 |
BRD-K03449891-001-08-6 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.558002 | 4.521533 | 0.003772 | 0.804609 | 0.13704 | null | foretinib | VEGFR inhibitor | FLT1, FLT4, KDR, MET | null | null | COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 | Phase 2 | true | ACH-000971 |
BRD-K03765900-001-01-9 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.543111 | 0.004029 | -0.014099 | 0.773774 | 9.692041 | null | XL-647 | EGFR inhibitor, VEGFR inhibitor | EGFR, EPHB4, ERBB2, FLT4, KDR | null | null | COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C)C[C@H]2C1 | Phase 3 | true | ACH-000971 |
BRD-K06814349-304-02-7 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.445847 | 1.006504 | 0.682174 | 0.814568 | 0.403431 | 3.671855 | fosbretabulin | tubulin polymerization inhibitor, VE-cadherin antagonist | CDH5 | null | null | COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O | Phase 3 | true | ACH-000971 |
BRD-K08542803-001-02-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.205712 | 0.387334 | -0.061165 | 0.660709 | 0.205362 | 0.806927 | gambogic-acid | caspase activator | BCL2 | null | null | CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C, CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C, CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C | Phase 2 | true | ACH-000971 |
BRD-K08547377-001-04-4 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.007252 | 0.572015 | 0.757795 | 0.731485 | 1.09158 | 1.119823 | 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-000971 |
BRD-K08703257-001-13-9 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.037332 | -0.109895 | -0.021957 | 1 | 1.679263 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000971 |
BRD-K08799216-001-05-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.181658 | -3.862818 | 0.021686 | 1 | 0.00109 | null | pelitinib | EGFR inhibitor | EGFR | null | null | CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C | Phase 2 | true | ACH-000971 |
BRD-K09951645-001-11-8 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.236798 | 2.318416 | -0.045922 | 1 | 0.397911 | 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-000971 |
BRD-K11267252-001-05-1 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.662239 | 2.469017 | -0.139876 | 0.893754 | 0.472427 | 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-000971 |
BRD-K11630072-001-13-2 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.667656 | -0.006645 | -0.038039 | 0.833426 | 0.161896 | 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-000971 |
BRD-K12184916-001-19-6 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.731341 | 0.254013 | 0.007502 | 0.972538 | 845.458136 | 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-000971 |
BRD-K12343256-001-14-7 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.101129 | 0.544168 | 0.574198 | 0.690184 | 0.460149 | 0.697013 | 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-000971 |
BRD-K13049116-001-04-0 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.593731 | 0.085068 | -0.059046 | 0.815596 | 0.708185 | 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-000971 |
BRD-K13390322-001-06-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.148951 | 2.230056 | 0.77473 | 0.66945 | 0.230703 | 0.270353 | 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-000971 |
BRD-K13514097-001-04-6 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.630645 | 0.090314 | 0.040569 | 1 | 0.300473 | 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-000971 |
BRD-K13662825-001-07-5 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.142978 | 0.749958 | 0.517085 | 0.619371 | 0.034659 | 0.054308 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000971 |
BRD-K14109347-001-03-4 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | -1.409757 | 2.616758 | 0.482962 | 0.962703 | 13.222148 | 7.922936 | 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-000971 |
BRD-K15179879-001-03-2 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.103131 | 0.838053 | 0.899952 | 0.386452 | 0.011952 | 0.015745 | 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-000971 |
BRD-K15600710-066-05-8 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.137597 | 6.972831 | 0.855849 | 0.647771 | 0.186494 | 0.195304 | 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-000971 |
BRD-K16730910-001-10-7 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.694563 | 0.607062 | -0.084096 | 0.905485 | 0.644927 | 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-000971 |
BRD-K17555800-003-02-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.647069 | -0.012461 | -0.009413 | 0.793905 | 51,548,559,315.19844 | 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-000971 |
BRD-K17610631-001-03-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.120239 | 8.541213 | 0.912529 | 0.702172 | 0.36253 | 0.374388 | 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-000971 |
BRD-K17743125-001-08-4 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.23069 | 4.859957 | 0.738739 | 0.812417 | 0.938266 | 1.065658 | 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-000971 |
BRD-K17894950-001-14-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.218112 | -0.62003 | 0.069671 | 1 | 0.00081 | 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-000971 |
BRD-K18961567-001-01-1 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.248019 | 2.67929 | 0.316635 | 0.934049 | 4.444735 | 5.740088 | 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-000971 |
BRD-K19540840-001-09-4 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.91784 | -3.650613 | 0.115088 | 0.936336 | 1.125136 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000971 |
BRD-K19687926-001-04-1 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.882046 | -0.42396 | 0.018497 | 0.967588 | 0.003956 | 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-000971 |
BRD-K19796430-001-05-6 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.931242 | 0.148862 | -0.007746 | 0.959639 | 0.006656 | 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-000971 |
BRD-K22064724-001-01-8 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.088517 | 2.097582 | 0.783777 | 0.67266 | 0.306569 | 0.336411 | 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-000971 |
BRD-K22822991-001-02-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.807335 | -0.094403 | -0.049327 | 0.885533 | 4.739629 | 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-000971 |
BRD-K23228615-001-02-8 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | -8.095886 | 1.676223 | 0.381628 | 0.96777 | 53.928535 | 9.882024 | 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-000971 |
BRD-K23984367-001-07-5 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.561904 | 0.545368 | 0.231574 | 0.80015 | 0.127604 | 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-000971 |
BRD-K26026438-001-01-0 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.458731 | 0.184737 | -0.091401 | 0.844894 | 14.768641 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-000971 |
BRD-K26657438-001-15-2 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.84188 | 2.629977 | 0.116268 | 0.962623 | 1.009545 | 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-000971 |
BRD-K28822270-001-03-7 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.206456 | 0.751989 | 0.56152 | 0.747015 | 0.538867 | 1.09411 | 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-000971 |
BRD-K29905972-001-06-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.612205 | 1.37585 | 0.441826 | 0.809046 | 0.084088 | 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-000971 |
BRD-K30577245-001-05-0 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.358732 | 1.370001 | 0.757213 | 0.596383 | 0.001383 | 0.003479 | 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-000971 |
BRD-K31698212-001-02-9 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.162445 | 0.20203 | 0.042991 | 1 | 0.005637 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000971 |
BRD-K31928526-001-02-1 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.817334 | 4.844786 | 0.206052 | 0.920579 | 0.147062 | 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-000971 |
BRD-K33379087-001-07-5 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.243322 | 0.758265 | 0.036953 | 0.77183 | 0.618957 | 1.491282 | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000971 |
BRD-K33610132-001-02-9 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.964312 | -1.085917 | -0.009745 | 0.979403 | 0.166554 | 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-000971 |
BRD-K33622447-066-01-9 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.258777 | 3.34236 | 0.689099 | 0.80046 | 0.733531 | 0.912277 | 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-000971 |
BRD-K35520305-001-16-9 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.763215 | -0.344186 | -0.021384 | 0.885998 | 0.060012 | 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-000971 |
BRD-K36627727-001-05-4 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.807764 | 0.237066 | 0.004148 | 0.959352 | 33.928297 | 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-000971 |
BRD-K36788280-001-01-2 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.731451 | -0.435639 | -0.151652 | 0.897053 | 0.018101 | 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-000971 |
BRD-K37379014-001-02-0 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.205333 | 0.599238 | 0.482937 | 0.607706 | 0.001305 | 0.003154 | 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-000971 |
BRD-K38332599-001-01-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.60657 | 4.362149 | 0.342948 | 0.91508 | 1.231104 | 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-000971 |
BRD-K38527262-300-01-0 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.522809 | -0.205546 | -0.053714 | 0.833388 | 0.002736 | null | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000971 |
BRD-K38852836-001-02-1 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.168363 | 1.539651 | 0.794532 | 0.689852 | 0.067254 | 0.087805 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-000971 |
BRD-K39974922-001-04-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.439197 | 0.07228 | -0.058739 | 0.803449 | 432.734807 | 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-000971 |
BRD-K41859756-001-06-8 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.195599 | 1.196541 | 0.869278 | 0.575461 | 0.014914 | 0.022579 | 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-000971 |
BRD-K42495768-001-01-7 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.500842 | 0.237941 | 0.240939 | 0.753392 | 0.087266 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000971 |
BRD-K42805893-001-04-9 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.804802 | 0.397427 | -0.022711 | 0.887263 | 0.028311 | 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-000971 |
BRD-K42828737-001-03-3 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.955916 | 2.91627 | 0.05449 | 0.973301 | 0.028016 | 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-000971 |
BRD-K42898655-001-01-8 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.322129 | 0.243223 | 0.048243 | 1 | 0.03722 | 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-000971 |
BRD-K43389675-001-02-1 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.117068 | 6.359081 | 0.70524 | 0.810716 | 1.248682 | 1.302179 | 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-000971 |
BRD-K44227013-001-06-4 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.801055 | -0.283849 | -0.098049 | 0.895908 | 0.113935 | 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-000971 |
BRD-K44408410-001-17-6 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.557544 | 0.179299 | 0.107733 | 0.794006 | 0.176831 | 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-000971 |
BRD-K44827188-001-06-0 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.675666 | 0.181132 | -0.085736 | 0.825494 | 0.031909 | 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-000971 |
BRD-K46386702-001-02-1 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.778169 | -4.25715 | 0.167793 | 0.873212 | 0.156398 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-000971 |
BRD-K49328571-001-15-0 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.808992 | -2.597325 | 0.029177 | 0.919484 | 0.036472 | 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-000971 |
BRD-K49350383-001-14-5 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.330342 | -0.093907 | 0.029493 | 1 | 0.33632 | 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-000971 |
BRD-K50010139-001-01-5 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 1.067547 | -4.20483 | 0.05209 | 1 | 1.377654 | 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-000971 |
BRD-K50168500-001-07-9 | ACH-000971 | HCT116_LARGE_INTESTINE | MTS010 | 1 | 0.969437 | -0.141749 | 0.000081 | 0.982235 | 0.863369 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000971 |
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