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-K62200014-003-10-5 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.73411 | -0.807049 | 0.236331 | 0.915889 | 0.011857 | 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-000956 |
BRD-K62391742-001-09-7 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.724417 | -3.375615 | 0.363537 | 0.790234 | 0.98506 | 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-000956 |
BRD-K62627508-001-01-5 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.264209 | -0.249129 | -0.001002 | 1 | 0.000109 | 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-000956 |
BRD-K63504947-001-14-7 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.647901 | 4.67859 | 0.258928 | 0.884163 | 0.410604 | 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-000956 |
BRD-K64052750-001-22-5 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.572621 | 0.824057 | 0.113309 | 0.896184 | 1.138927 | 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-000956 |
BRD-K64881305-001-03-7 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.567944 | 0.138137 | -0.065166 | 0.792652 | 0.142835 | 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-000956 |
BRD-K66175015-001-12-4 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.140897 | 2.298952 | 0.59353 | 0.900684 | 3.37025 | 3.892165 | 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-000956 |
BRD-K67844266-003-01-9 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.835264 | 1.077773 | 0.1252 | 0.911708 | 0.054882 | 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-000956 |
BRD-K69001009-001-02-8 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.196423 | -0.596709 | -0.065141 | 1 | 0.02024 | 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-000956 |
BRD-K69694239-001-02-2 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.241652 | 0.254351 | 0.178337 | 0.596738 | 0.044522 | 0.597051 | 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-000956 |
BRD-K69776681-001-03-8 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.61694 | 0.027688 | -0.04329 | 0.82165 | 11.43312 | 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-000956 |
BRD-K70301465-001-05-9 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.872235 | -0.849279 | -0.242881 | 0.953291 | 0.020097 | 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-000956 |
BRD-K70401845-001-15-7 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.918218 | 0.027333 | -0.15441 | 0.958604 | 0.031581 | 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-000956 |
BRD-K73838513-003-05-5 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.773521 | 0.190465 | -0.0911 | 0.851731 | 0.002164 | 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-000956 |
BRD-K74514084-003-09-2 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.326478 | 58.698578 | 0.022989 | 1 | 1.217205 | 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-000956 |
BRD-K75009076-001-02-1 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.218912 | 0.844581 | -0.107971 | 1 | 1.099381 | 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-000956 |
BRD-K76210423-001-01-6 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.718978 | -0.075715 | 0.026243 | 0.850782 | 0.409637 | 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-000956 |
BRD-K76239644-001-02-6 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.687349 | -1.137646 | 0.192099 | 0.955772 | 0.001957 | 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-000956 |
BRD-K76674262-001-03-3 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.226298 | 1.89696 | 0.836231 | 0.573849 | 0.047702 | 0.065537 | 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-000956 |
BRD-K76908866-001-07-6 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.681398 | -3.077019 | 0.077598 | 0.866022 | 0.036114 | 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-000956 |
BRD-K77625799-001-07-7 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.369536 | -0.540663 | 0.044152 | 1 | 0.002074 | 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-000956 |
BRD-K79254416-001-21-8 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.877733 | -0.810207 | -0.108058 | 0.969381 | 0.005777 | 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-000956 |
BRD-K81016934-001-02-0 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.041657 | -0.188369 | -0.034799 | 1 | 6.061692 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000956 |
BRD-K81418486-001-44-2 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.065307 | 0.662066 | 0.043368 | 0.598413 | 0.164071 | 0.202696 | 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-000956 |
BRD-K81473043-001-19-5 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.823146 | -6.652033 | -0.282541 | 0.936836 | 0.00122 | 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-000956 |
BRD-K82135108-001-04-3 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.147723 | 5.583157 | 0.946664 | 0.738316 | 0.028466 | 0.030308 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000956 |
BRD-K82746043-001-19-3 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.461208 | 1.532814 | 0.176113 | 1 | 0.93849 | 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-000956 |
BRD-K82818427-001-04-8 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.993325 | -0.0329 | -0.120917 | 0.996215 | 291.129011 | 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-000956 |
BRD-K83029223-001-01-3 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.103566 | 1.711039 | -0.481115 | 0.729279 | 0.033471 | 0.038333 | 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-000956 |
BRD-K83988098-001-02-0 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.390173 | 1.525908 | 0.180896 | 1 | 0.000259 | 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-000956 |
BRD-K85402309-043-01-9 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.629039 | -1.409964 | -0.230898 | 0.962936 | 0.001077 | 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-000956 |
BRD-K85606544-001-09-1 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.79715 | -2.995821 | -0.022482 | 0.830029 | 2.080539 | 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-000956 |
BRD-K86972824-001-01-4 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.629507 | 0.391251 | 0.135052 | 0.825197 | 0.113099 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000956 |
BRD-K87737963-001-06-0 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.242627 | 1.938489 | 0.326812 | 1 | 0.009171 | 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-000956 |
BRD-K87782578-001-01-4 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.828912 | -0.584825 | -0.320545 | 0.881498 | 0.679961 | 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-000956 |
BRD-K87909389-003-03-4 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.326847 | 5.636327 | 0.456658 | 0.959786 | 0.420614 | 0.507683 | 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-000956 |
BRD-K88510285-001-17-8 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.192932 | 1.529303 | 0.469888 | 0.61202 | 0.011485 | 0.015797 | 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-000956 |
BRD-K89014967-001-04-3 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.680264 | 0.131247 | 0.040026 | 1 | 0.210464 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000956 |
BRD-K92441787-001-04-1 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.772294 | 1.553269 | 0.135406 | 0.894627 | 0.112149 | 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-000956 |
BRD-K92723993-001-17-4 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.092277 | -0.001772 | -0.077098 | 1 | 18,342,322,785,749,950,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000 | 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-000956 |
BRD-K95142244-001-01-5 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.342048 | 1.879455 | -0.05579 | 1 | 0.01669 | 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-000956 |
BRD-K96123349-236-02-8 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.211632 | -0.047462 | -0.031142 | 1 | 2,729,402.531582 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000956 |
BRD-K98572433-001-02-9 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.064954 | 0.303721 | -0.035612 | 1 | 0.005336 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000956 |
BRD-K99113996-001-02-0 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.735397 | 9.347143 | 0.591155 | 0.905452 | 0.311896 | 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-000956 |
BRD-K99616396-001-05-1 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.427373 | 0.314483 | 0.083323 | 1 | 0.019757 | 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-000956 |
BRD-K99749624-001-07-0 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 1.306496 | 0.852968 | 0.109843 | 1 | 0.0954 | 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-000956 |
BRD-M97302542-001-04-4 | ACH-000956 | 22RV1_PROSTATE | MTS010 | 1 | 0.833461 | 0.0626 | -0.012873 | 0.902906 | 0.000355 | 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-000956 |
BRD-A25234499-001-19-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.914391 | 2.034111 | 0.232073 | 0.966134 | 0.215195 | 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-000957 |
BRD-A74914197-001-02-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.053624 | -0.051128 | -0.026368 | 1 | 0.00001 | 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-000957 |
BRD-K02113016-001-19-6 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.852048 | 1.214145 | 0.064577 | 0.918124 | 0.046375 | 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-000957 |
BRD-K02130563-001-11-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.176336 | 4.682032 | 0.858577 | 0.739429 | 0.464156 | 0.509337 | 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-000957 |
BRD-K03390685-001-01-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.582045 | 2.373693 | 0.751966 | 0.785144 | 0.068138 | 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-000957 |
BRD-K03406345-001-21-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.836186 | -1.224878 | 0.325412 | 0.946043 | 0.014674 | 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-000957 |
BRD-K03449891-001-08-6 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.134383 | -2.619994 | 0.038866 | 1 | 0.003544 | 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-000957 |
BRD-K03765900-001-01-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.466696 | 1.364328 | 0.170777 | 0.948198 | 4.938152 | 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-000957 |
BRD-K05804044-001-18-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.189176 | 0.638744 | 0.467959 | 0.815622 | 1.683942 | 3.544433 | AZ-628 | RAF inhibitor | BRAF, RAF1 | null | null | Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 | Preclinical | true | ACH-000957 |
BRD-K06814349-304-02-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.784749 | -0.648451 | -0.031069 | 0.965221 | 0.001476 | null | 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-000957 |
BRD-K08109215-001-06-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.06337 | -0.045749 | -0.020446 | 1 | 94.916987 | null | I-BET-762 | bromodomain inhibitor | BRD2, BRD3, BRD4 | null | null | CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 | Phase 2 | true | ACH-000957 |
BRD-K08542803-001-02-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.844688 | -0.149379 | -0.046265 | 0.916916 | 0.20767 | 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-000957 |
BRD-K08547377-001-04-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.056637 | -0.166116 | -0.016873 | 1 | 0.066835 | 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-000957 |
BRD-K08703257-001-13-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.765662 | 2.00672 | 0.158891 | 0.98614 | 6.806854 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000957 |
BRD-K08799216-001-05-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | -1.057123 | 2.336949 | 0.549385 | 0.972732 | 15.657763 | 9.62986 | 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-000957 |
BRD-K09951645-001-11-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.756671 | 0.007028 | 0.001809 | 0.879189 | 0.574563 | 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-000957 |
BRD-K11267252-001-05-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.92525 | 0.775103 | 0.016924 | 0.98742 | 2.986955 | 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-000957 |
BRD-K11630072-001-13-2 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.1328 | 0.743955 | 0.289175 | 0.931084 | 14.063757 | 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-000957 |
BRD-K12184916-001-19-6 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.708145 | 0.7721 | 0.313494 | 0.863948 | 0.107299 | 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-000957 |
BRD-K12343256-001-14-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.442002 | 0.716093 | 0.642841 | 0.664869 | 0.027484 | 0.556619 | 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-000957 |
BRD-K13390322-001-06-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.2313 | 0.729324 | 0.400745 | 0.817284 | 1.312152 | 3.074587 | 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-000957 |
BRD-K13514097-001-04-6 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.332456 | 0.208277 | 0.139535 | 1 | 0.027796 | 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-000957 |
BRD-K13662825-001-07-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.140168 | 0.978707 | 0.854626 | 0.57722 | 0.021227 | 0.029708 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000957 |
BRD-K15179879-001-03-2 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.065724 | 6.65722 | 0.658132 | 0.7055 | 0.469314 | 0.479362 | 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-000957 |
BRD-K15600710-066-05-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.911772 | 0.246574 | -0.095247 | 1 | 105.621886 | 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-000957 |
BRD-K16730910-001-10-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.910092 | 0.114547 | 0.00413 | 0.961832 | 1.189649 | 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-000957 |
BRD-K17555800-003-02-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.691292 | -0.262258 | 0.086662 | 0.907184 | 0.002098 | 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-000957 |
BRD-K17610631-001-03-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.702876 | 0.521884 | 0.216418 | 0.840541 | 0.049819 | 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-000957 |
BRD-K17743125-001-08-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.857732 | 0.413745 | 0.032519 | 0.925391 | 0.057238 | null | belinostat | HDAC inhibitor | HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9 | hematologic malignancy | peripheral T-cell lymphoma (PTCL) | ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 | Launched | true | ACH-000957 |
BRD-K17894950-001-14-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.678684 | 0.409845 | 0.14548 | 0.852846 | 0.133777 | 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-000957 |
BRD-K18961567-001-01-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.79033 | -0.734543 | -0.043213 | 0.967384 | 0.001606 | 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-000957 |
BRD-K19540840-001-09-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.601074 | 0.067253 | 0.066753 | 0.801571 | 0.091251 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000957 |
BRD-K19687926-001-04-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.794776 | -0.036706 | -0.035608 | 0.895322 | 0.234593 | 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-000957 |
BRD-K19796430-001-05-6 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.903549 | -0.077723 | 0.005102 | 0.952665 | 0.048292 | 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-000957 |
BRD-K22064724-001-01-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.102438 | 4.124543 | 0.860692 | 0.761802 | 0.761196 | 0.804707 | 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-000957 |
BRD-K22822991-001-02-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.977298 | -0.208017 | -0.057176 | 0.990181 | 0.019003 | 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-000957 |
BRD-K23228615-001-02-8 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.852677 | 0.231712 | 0.024383 | 0.899528 | 0.002101 | 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-000957 |
BRD-K23984367-001-07-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.05844 | -0.150559 | -0.060825 | 1 | 3.030222 | 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-000957 |
BRD-K26026438-001-01-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.601077 | 0.219557 | 0.114732 | 0.818966 | 0.196389 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-000957 |
BRD-K26657438-001-15-2 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.899212 | 0.129535 | 0.011665 | 0.94029 | 0.003964 | 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-000957 |
BRD-K28822270-001-03-7 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | -0.01525 | 3.77603 | 0.673966 | 0.968455 | 8.572573 | 8.504604 | 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-000957 |
BRD-K29905972-001-06-3 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.978463 | -0.035324 | -0.000487 | 0.989061 | 0.192117 | 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-000957 |
BRD-K30577245-001-05-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.90111 | 3.196366 | 0.0004 | 0.982284 | 0.109974 | 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-000957 |
BRD-K31698212-001-02-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.993537 | -0.883875 | 0.009272 | 0.996333 | 0.153114 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000957 |
BRD-K33379087-001-07-5 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.752726 | -1.119422 | 0.071697 | 0.883636 | 0.05856 | null | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000957 |
BRD-K33610132-001-02-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.902224 | -0.064711 | 0.006149 | 0.941666 | 34.704108 | 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-000957 |
BRD-K33622447-066-01-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.812263 | 3.593231 | 0.256472 | 0.914308 | 0.119187 | 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-000957 |
BRD-K35520305-001-16-9 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.946368 | -0.361717 | 0.011949 | 0.984956 | 0.003207 | 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-000957 |
BRD-K36627727-001-05-4 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 1.099383 | -0.173873 | -0.021994 | 1 | 1.170511 | 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-000957 |
BRD-K36788280-001-01-2 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.709546 | -0.004385 | -0.011454 | 0.842589 | 3,555,074,850,920,925 | 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-000957 |
BRD-K37379014-001-02-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.882976 | -0.328317 | -0.00488 | 0.927244 | 0.007475 | 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-000957 |
BRD-K38527262-300-01-0 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.113574 | 8.269748 | 0.89166 | 0.786642 | 0.890488 | 0.918653 | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000957 |
BRD-K38852836-001-02-1 | ACH-000957 | LS180_LARGE_INTESTINE | MTS010 | 1 | 0.292776 | 0.635556 | 0.859416 | 0.730834 | 0.070463 | 0.281738 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-000957 |
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