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-K60866521-001-07-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.781147 | -0.618341 | 0.226982 | 0.896547 | 0.05828 | 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-000927 |
BRD-K60997853-001-02-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.957498 | -1.184928 | -0.046803 | 0.994566 | 0.001692 | 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-000927 |
BRD-K61192372-001-08-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.851042 | -5.4607 | 0.231659 | 0.865094 | 4.00825 | 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-000927 |
BRD-K62008436-001-23-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.118987 | -2.803947 | -0.052327 | 1 | 3.687204 | 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-000927 |
BRD-K62196610-001-01-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 3.544507 | 0.84802 | 0.629061 | 1 | 7.529689 | 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-000927 |
BRD-K62200014-003-10-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.926197 | -0.082277 | -0.069336 | 0.944537 | 63,721.469627 | 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-000927 |
BRD-K62391742-001-09-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.108 | -0.103818 | -0.012416 | 1 | 0.231124 | 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-000927 |
BRD-K62627508-001-01-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.130812 | 0.012695 | -0.112427 | 1 | 0.757095 | 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-000927 |
BRD-K63504947-001-14-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.590973 | -0.637673 | 0.322835 | 0.957455 | 0.000523 | 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-000927 |
BRD-K63712959-001-01-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.563217 | -1.100787 | 0.00552 | 0.973668 | 0.000557 | 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-000927 |
BRD-K64052750-001-22-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.365317 | 0.559774 | 0.831821 | 0.691531 | 0.091188 | 0.949721 | 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-000927 |
BRD-K64881305-001-03-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.977303 | 0.674254 | 0.342954 | 1 | 0.014982 | 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-000927 |
BRD-K66175015-001-12-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.353087 | 1.352734 | 0.743603 | 0.630129 | 0.03884 | 0.096049 | 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-000927 |
BRD-K67844266-003-01-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.330154 | 2.178715 | 0.522833 | 1 | 0.172391 | 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-000927 |
BRD-K69001009-001-02-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.079017 | -0.10735 | -0.006749 | 1 | 0.089871 | 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-000927 |
BRD-K69776681-001-03-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.082102 | 1.006863 | 0.33174 | 1 | 0.029025 | 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-000927 |
BRD-K70301465-001-05-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.317051 | 2.003332 | 0.757066 | 0.673868 | 0.097131 | 0.16044 | 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-000927 |
BRD-K70401845-001-15-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.718631 | 0.404922 | 0.241866 | 0.857169 | 0.070798 | 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-000927 |
BRD-K73838513-003-05-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.793037 | 0.394984 | 0.093288 | 0.899538 | 0.09449 | null | cinacalcet | calcium channel activator | CASR | endocrinology, nephrology, oncology | hyperparathyroidism, chronic kidney disease (CKD), parathyroid carcinoma, hypercalcemia | C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 | Launched | true | ACH-000927 |
BRD-K74514084-003-09-2 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.824032 | 4.79073 | 0.274143 | 0.919211 | 0.116144 | 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-000927 |
BRD-K75009076-001-02-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.359334 | 0.304132 | -0.030349 | 1 | 3.944927 | null | 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-000927 |
BRD-K76210423-001-01-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.048841 | -0.208082 | -0.04274 | 1 | 9.225823 | 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-000927 |
BRD-K76239644-001-02-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.24546 | 3.416493 | 0.795194 | 0.692769 | 0.192257 | 0.23426 | 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-000927 |
BRD-K76674262-001-03-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.088024 | -0.005549 | -0.28982 | 1 | 2,034.515728 | 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-000927 |
BRD-K76908866-001-07-6 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.573515 | 0.505642 | 0.418026 | 0.80139 | 0.116049 | 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-000927 |
BRD-K77625799-001-07-7 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.696524 | -0.043495 | -0.052248 | 0.840997 | 0.71289 | 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-000927 |
BRD-K79254416-001-21-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.341946 | 3.940281 | 0.58165 | 1 | 1.155149 | 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-000927 |
BRD-K81016934-001-02-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.218769 | -0.765754 | 0.002316 | 1 | 0.001416 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000927 |
BRD-K81418486-001-44-2 | ACH-000927 | BT474_BREAST | MTS010 | 1 | -0.213658 | 4.942652 | 0.507108 | 0.978496 | 9.425947 | 8.771268 | 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-000927 |
BRD-K81473043-001-19-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.259025 | 3.958508 | 0.303407 | 0.969434 | 0.443787 | 0.533648 | 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-000927 |
BRD-K82135108-001-04-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.197471 | 5.126423 | 0.254394 | 0.511069 | 0.027056 | 0.029842 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000927 |
BRD-K82746043-001-19-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.177332 | 0.470717 | -0.287567 | 1 | 0.048056 | 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-000927 |
BRD-K82818427-001-04-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.394205 | 0.095831 | -0.124184 | 1 | 953.270767 | 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-000927 |
BRD-K83029223-001-01-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.15519 | 1.301031 | 0.742119 | 1 | 0.020566 | 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-000927 |
BRD-K83988098-001-02-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.840135 | 0.088586 | -0.002741 | 0.910983 | 0.000089 | 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-000927 |
BRD-K85402309-043-01-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.311629 | 1.109268 | 0.732263 | 1 | 1.124234 | 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-000927 |
BRD-K85606544-001-09-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.24408 | 0.744164 | 0.561042 | 0.687543 | 0.190391 | 0.468285 | 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-000927 |
BRD-K86118762-001-01-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.159542 | 0.119427 | -0.020542 | 1 | 0.002018 | 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-000927 |
BRD-K86972824-001-01-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 73.742505 | 1.255304 | -0.000033 | 1 | 5,393,259.138313 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000927 |
BRD-K87737963-001-06-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.607647 | -1.863102 | 0.088845 | 0.870722 | 0.014908 | 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-000927 |
BRD-K87782578-001-01-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.049524 | -0.063743 | -0.006975 | 1 | 0.219398 | 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-000927 |
BRD-K87909389-003-03-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.769032 | 3.068539 | 0.233928 | 0.940448 | 0.819146 | 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-000927 |
BRD-K88510285-001-17-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.697365 | 5.585113 | 0.204279 | 0.901267 | 0.105534 | 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-000927 |
BRD-K89014967-001-04-3 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 2.652086 | 1.31841 | 0.719911 | 1 | 2.049434 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000927 |
BRD-K92441787-001-04-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.817717 | -0.408767 | 0.02756 | 0.9144 | 0.052904 | 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-000927 |
BRD-K92723993-001-17-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 21.263225 | 0.283836 | 0.01099 | 1 | 4,607,752,765.870832 | 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-000927 |
BRD-K95142244-001-01-5 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 3.697477 | 7.549845 | 0.861437 | 1 | 0.635555 | 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-000927 |
BRD-K96123349-236-02-8 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.766562 | 1.044691 | 0.609263 | 1 | 0.894967 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000927 |
BRD-K98572433-001-02-9 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.278461 | 0.775485 | 0.854888 | 0.657976 | 0.101719 | 0.290581 | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000927 |
BRD-K99113996-001-02-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.110623 | 0.136526 | 0.020935 | 1 | 0.196568 | 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-000927 |
BRD-K99616396-001-05-1 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.732137 | -0.168857 | 0.119211 | 0.845714 | 0.529396 | 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-000927 |
BRD-K99749624-001-07-0 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 1.279311 | -0.493472 | 0.067173 | 1 | 0.003344 | 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-000927 |
BRD-M97302542-001-04-4 | ACH-000927 | BT474_BREAST | MTS010 | 1 | 0.924725 | 4.847307 | -0.004961 | 0.963288 | 0.087994 | 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-000927 |
BRD-A25234499-001-19-1 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.994144 | -0.049331 | -0.007439 | 0.996239 | 11,651.187827 | 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-000929 |
BRD-A70858459-001-01-7 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.511651 | 1.369304 | 0.27268 | 1 | 1.543712 | 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-000929 |
BRD-A74914197-001-02-9 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.230515 | 0.876152 | 0.78051 | 0.586121 | 0.003343 | 0.006768 | 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-000929 |
BRD-K02113016-001-19-6 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.955698 | -1.517566 | -0.103822 | 0.963021 | 2.135943 | 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-000929 |
BRD-K03390685-001-01-7 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.614297 | 4.980444 | 0.399785 | 0.896254 | 0.73509 | null | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | true | ACH-000929 |
BRD-K03406345-001-21-1 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.601388 | 4.851656 | 0.23961 | 0.884357 | 0.59878 | 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-000929 |
BRD-K03449891-001-08-6 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.767761 | -2.954958 | 0.180458 | 0.825957 | 0.311158 | 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-000929 |
BRD-K08542803-001-02-3 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.745927 | -5.251387 | 0.336093 | 0.882225 | 0.015166 | null | 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-000929 |
BRD-K08547377-001-04-4 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.852307 | 0.04314 | -0.073813 | 1 | 6.154903 | null | irinotecan | topoisomerase inhibitor | TOP1, TOP1MT | oncology | colorectal cancer | CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 | Launched | true | ACH-000929 |
BRD-K08703257-001-13-9 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.807324 | -1.135261 | 0.035171 | 0.928874 | 0.021623 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000929 |
BRD-K11267252-001-05-1 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.091122 | -0.055439 | -0.032511 | 1 | 1.571893 | 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-000929 |
BRD-K11630072-001-13-2 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.933055 | -0.360096 | -0.01561 | 0.97031 | 0.035721 | 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-000929 |
BRD-K12184916-001-19-6 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.228272 | -0.412735 | 0.072591 | 1 | 0.053604 | 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-000929 |
BRD-K12343256-001-14-7 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.384152 | -0.593494 | 0.312915 | 1 | 0.118837 | 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-000929 |
BRD-K13390322-001-06-3 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.182236 | 4.347424 | 0.706248 | 0.716329 | 0.345134 | 0.383065 | 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-000929 |
BRD-K13514097-001-04-6 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.966276 | -0.055637 | 0.009611 | 1 | 4.449039 | 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-000929 |
BRD-K13662825-001-07-5 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.068391 | 1.971274 | 0.889281 | 0.540625 | 0.020912 | 0.022532 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000929 |
BRD-K14109347-001-03-4 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.265991 | 0.835836 | 0.300923 | 0.751344 | 0.401958 | 0.996966 | 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-000929 |
BRD-K15179879-001-03-2 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.261925 | 4.528366 | 0.75381 | 0.569924 | 0.035004 | 0.041236 | 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-000929 |
BRD-K15600710-066-05-8 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.817004 | 0.03809 | -0.147672 | 0.895769 | 0.000048 | 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-000929 |
BRD-K16730910-001-10-7 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.35316 | 2.603792 | 0.262248 | 1 | 1.222879 | 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-000929 |
BRD-K17610631-001-03-3 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.668777 | 3.084206 | 0.26097 | 0.770686 | 0.011702 | 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-000929 |
BRD-K19540840-001-09-4 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.00512 | -0.383267 | -0.241024 | 1 | 0.555243 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000929 |
BRD-K19796430-001-05-6 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.783357 | 5.978025 | 0.225939 | 0.926856 | 0.377594 | 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-000929 |
BRD-K22064724-001-01-8 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.222947 | 3.467922 | 0.689222 | 0.84522 | 1.447576 | 1.71624 | 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-000929 |
BRD-K22822991-001-02-3 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.031273 | -0.216577 | -0.028139 | 1 | 15.408718 | 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-000929 |
BRD-K23228615-001-02-8 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.775781 | 2.393091 | -0.134369 | 0.839446 | 0.00959 | null | 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-000929 |
BRD-K23984367-001-07-5 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.892997 | 2.220905 | 0.413381 | 1 | 6.362438 | 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-000929 |
BRD-K26026438-001-01-0 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.74888 | 2.588226 | 0.017717 | 0.858825 | 0.042716 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-000929 |
BRD-K26657438-001-15-2 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.145829 | -2.079814 | 0.227108 | 1 | 0.010251 | 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-000929 |
BRD-K29905972-001-06-3 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 2.037825 | 1.776514 | 0.437815 | 1 | 3.863046 | 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-000929 |
BRD-K30577245-001-05-0 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.370225 | 5.114215 | 0.890529 | 0.600964 | 0.001334 | 0.001737 | 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-000929 |
BRD-K31698212-001-02-9 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.148242 | 0.419959 | -0.033248 | 1 | 0.007563 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000929 |
BRD-K31928526-001-02-1 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.397026 | 1.293534 | 0.335975 | 1 | 0.252175 | 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-000929 |
BRD-K33379087-001-07-5 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.376496 | 0.585021 | 0.221294 | 0.742992 | 0.204658 | 2.23406 | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000929 |
BRD-K33622447-066-01-9 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.915359 | 0.144295 | 0.136528 | 1 | 1.223593 | 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-000929 |
BRD-K36627727-001-05-4 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.737403 | 1.402075 | 0.008423 | 0.896836 | 0.221628 | 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-000929 |
BRD-K36788280-001-01-2 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 2.217264 | 13.452859 | -0.000205 | 1 | 26.874943 | 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-000929 |
BRD-K37379014-001-02-0 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.442671 | 0.879846 | 0.439298 | 0.670462 | 0.000489 | 0.005729 | 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-000929 |
BRD-K38527262-300-01-0 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | -0.160137 | 1.832748 | 0.454813 | 0.918325 | 5.5858 | 4.800167 | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000929 |
BRD-K38852836-001-02-1 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.27451 | 0.167349 | 0.344951 | 0.612228 | 0.008188 | 0.954552 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-000929 |
BRD-K39974922-001-04-3 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.12418 | -0.385935 | 0.025366 | 1 | 0.031993 | 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-000929 |
BRD-K41859756-001-06-8 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.408031 | 0.210363 | 0.114567 | 0.680193 | 0.00851 | 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-000929 |
BRD-K42495768-001-01-7 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.678071 | -0.06394 | -0.069225 | 0.856747 | 0.002398 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-000929 |
BRD-K42805893-001-04-9 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.759357 | 4.901826 | 0.064914 | 0.952957 | 1.499955 | 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-000929 |
BRD-K42828737-001-03-3 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 1.543249 | 0.569121 | 0.046438 | 1 | 2.185245 | 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-000929 |
BRD-K42898655-001-01-8 | ACH-000929 | NCIH2110_LUNG | MTS010 | 1 | 0.84751 | -2.772688 | -0.134812 | 0.968261 | 0.000287 | 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-000929 |
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