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-K44227013-001-06-4 | null | null | MTS010 | 1 | 0.27619 | 5.646983 | 0.520109 | 0.896619 | 2.500662 | 2.883253 | 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 | false | ACH-000925_FAILED_STR |
BRD-K44827188-001-06-0 | null | null | MTS010 | 1 | 1.176251 | -0.159719 | -0.01174 | 1 | 8.983445 | 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 | false | ACH-000925_FAILED_STR |
BRD-K46386702-001-02-1 | null | null | MTS010 | 1 | 0.662072 | 0.382799 | 0.113195 | 0.802681 | 0.025393 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K49328571-001-15-0 | null | null | MTS010 | 1 | 0.587295 | 0.010111 | -0.036557 | 0.789845 | 0.002038 | 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 | false | ACH-000925_FAILED_STR |
BRD-K49350383-001-14-5 | null | null | MTS010 | 1 | 0.830388 | -34.773802 | 0.025352 | 0.99944 | 0.000623 | 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 | false | ACH-000925_FAILED_STR |
BRD-K50010139-001-01-5 | null | null | MTS010 | 1 | 0.262756 | 0.243108 | 0.472236 | 0.656743 | 0.146815 | 3.152053 | 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 | false | ACH-000925_FAILED_STR |
BRD-K50168500-001-07-9 | null | null | MTS010 | 1 | 0.124715 | 0.871858 | 0.377429 | 0.822286 | 1.746638 | 2.427314 | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K51313569-001-07-8 | null | null | MTS010 | 1 | 0.879426 | 1.878819 | 0.087647 | 0.962666 | 0.496379 | null | palbociclib | CDK inhibitor | CDK4, CDK6 | oncology | breast cancer | CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O, CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O | Launched | false | ACH-000925_FAILED_STR |
BRD-K51791723-003-01-7 | null | null | MTS010 | 1 | 0.014187 | 0.845104 | 0.629086 | 0.721948 | 0.730049 | 0.755343 | P276-00 | CDK inhibitor | CDK1, CDK4, CDK9 | null | null | CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K51967704-001-03-6 | null | null | MTS010 | 1 | 0.154406 | 2.136906 | 0.597415 | 0.826959 | 1.381833 | 1.642554 | BIIB021 | HSP inhibitor | HSP90AA1 | null | null | COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C, COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K52313696-001-12-3 | null | null | MTS010 | 1 | 0.546682 | 0.688376 | 0.316448 | 0.86579 | 0.692486 | null | tacedinaline | HDAC inhibitor | HDAC1 | null | null | CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N, CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K53414658-001-08-2 | null | null | MTS010 | 1 | 0.840756 | -2.657818 | 0.064248 | 0.919912 | 0.080351 | null | tivozanib | VEGFR inhibitor | FLT1, FLT4, KDR, KIT, PDGFRA, PDGFRB | null | null | COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K53972329-001-07-0 | null | null | MTS010 | 1 | 1.443731 | 0.326544 | 0.296179 | 1 | 0.235354 | null | ruxolitinib | JAK inhibitor | JAK1, JAK2, JAK3, TYK2 | hematologic malignancy, hematology | myelofibrosis, polycythemia vera | N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 | Launched | false | ACH-000925_FAILED_STR |
BRD-K54256913-001-08-7 | null | null | MTS010 | 1 | 0.524124 | 2.195071 | 0.241348 | 0.793067 | 0.146988 | null | MK-1775 | WEE1 kinase inhibitor | WEE1 | null | null | CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K54955827-001-02-2 | null | null | MTS010 | 1 | 0.280034 | 0.739205 | 0.471996 | 0.792156 | 0.722551 | 2.194321 | niraparib | PARP inhibitor | PARP1 | oncology | primary peritoneal cancer (PPC) | NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1, NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 | Launched | false | ACH-000925_FAILED_STR |
BRD-K54997624-001-06-0 | null | null | MTS010 | 1 | 0.381764 | 0.347667 | 0.503711 | 0.747078 | 0.284936 | null | alpelisib | PI3K inhibitor | PIK3CA, PIK3CB, PIK3CD, PIK3CG | null | null | Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K55187425-236-05-2 | null | null | MTS010 | 1 | 0.471852 | 1.816911 | 0.505029 | 0.779694 | 0.174616 | 0.850752 | rigosertib | cell cycle inhibitor, PLK inhibitor | PLK1 | null | null | COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K56343971-001-14-8 | null | null | MTS010 | 1 | 1.431026 | 2.385772 | 0.354768 | 1 | 1.227395 | null | vemurafenib | RAF inhibitor | BRAF, RAF1 | oncology | melanoma | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F | Launched | false | ACH-000925_FAILED_STR |
BRD-K56981171-001-02-8 | null | null | MTS010 | 1 | 0.411774 | 0.203033 | -0.001491 | 0.695092 | 0.052855 | null | brigatinib | ALK tyrosine kinase receptor inhibitor, EGFR inhibitor | ALK, EGFR | oncology | non-small cell lung cancer (NSCLC) | COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1, COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 | Launched | false | ACH-000925_FAILED_STR |
BRD-K57080016-001-15-9 | null | null | MTS010 | 1 | 0.426096 | 0.933689 | 0.891951 | 0.632916 | 0.019386 | 0.150233 | selumetinib | MEK inhibitor | MAP2K1 | null | null | Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO, Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K57169635-001-04-5 | null | null | MTS010 | 1 | 0.699485 | 10.363452 | 0.613628 | 0.824527 | 0.019432 | null | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K58435339-001-03-0 | null | null | MTS010 | 1 | 0.15827 | 0.238579 | 0.545586 | 0.634112 | 0.264797 | 1.305308 | AT13387 | HSP antagonist | HSP90AA1 | null | null | CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O, CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K58529924-001-01-5 | null | null | MTS010 | 1 | 1.231826 | 0.342434 | 0.06433 | 1 | 0.03121 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K58550667-001-08-7 | null | null | MTS010 | 1 | 0.839519 | -0.032199 | -0.011695 | 0.918342 | 0.014656 | null | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K59317601-001-05-5 | null | null | MTS010 | 1 | 0.497486 | 0.473078 | 0.181536 | 0.810073 | 0.339472 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K59369769-001-22-9 | null | null | MTS010 | 1 | 0.470046 | 3.537742 | 0.461437 | 0.77498 | 0.162346 | 0.359755 | tozasertib | Aurora kinase inhibitor, Bcr-Abl kinase inhibitor, FLT3 inhibitor, JAK inhibitor | AURKA, AURKB, AURKC, LCK | null | null | CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1, CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K60866521-001-07-1 | null | null | MTS010 | 1 | 0.472004 | 0.357501 | -0.224817 | 0.946419 | 98.406396 | 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 | false | ACH-000925_FAILED_STR |
BRD-K60997853-001-02-3 | null | null | MTS010 | 1 | -0.300401 | 0.726222 | 0.657945 | 0.800994 | 3.999911 | 2.092565 | 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 | false | ACH-000925_FAILED_STR |
BRD-K61192372-001-08-9 | null | null | MTS010 | 1 | 0.870349 | 0.320171 | -0.092014 | 0.913141 | 0.005685 | 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 | false | ACH-000925_FAILED_STR |
BRD-K62008436-001-23-9 | null | null | MTS010 | 1 | 0.335606 | 3.830449 | 0.429944 | 0.564675 | 0.001082 | 0.001446 | 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 | false | ACH-000925_FAILED_STR |
BRD-K62196610-001-01-6 | null | null | MTS010 | 1 | 0.684204 | 2.90051 | 0.05529 | 0.784519 | 0.013309 | 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 | false | ACH-000925_FAILED_STR |
BRD-K62200014-003-10-5 | null | null | MTS010 | 1 | 0.707243 | 2.721447 | -0.012877 | 0.895092 | 0.308825 | null | anagrelide | phosphodiesterase inhibitor | PDE3A | hematology, hematologic malignancy | thrombocythemia, myeloproliferative neoplasms | Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl, Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl, Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl | Launched | false | ACH-000925_FAILED_STR |
BRD-K62391742-001-09-7 | null | null | MTS010 | 1 | 1.156448 | 0.13149 | -0.091744 | 1 | 0.001004 | 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 | false | ACH-000925_FAILED_STR |
BRD-K62627508-001-01-5 | null | null | MTS010 | 1 | 0.299123 | 7.018889 | 0.755428 | 0.681396 | 0.121367 | 0.138206 | 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 | false | ACH-000925_FAILED_STR |
BRD-K63504947-001-14-7 | null | null | MTS010 | 1 | 0.544017 | 0.438584 | 0.235495 | 0.789552 | 0.125584 | 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 | false | ACH-000925_FAILED_STR |
BRD-K63712959-001-01-8 | null | null | MTS010 | 1 | 0.973737 | -0.038626 | -0.013396 | 0.984002 | 7,894.232978 | 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 | false | ACH-000925_FAILED_STR |
BRD-K64052750-001-22-5 | null | null | MTS010 | 1 | 0.601822 | 0.016874 | -0.031211 | 0.80062 | 0.065693 | 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 | false | ACH-000925_FAILED_STR |
BRD-K64881305-001-03-7 | null | null | MTS010 | 1 | 0.389381 | 1.516405 | 0.560547 | 0.568287 | 0.010383 | 0.028078 | 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 | false | ACH-000925_FAILED_STR |
BRD-K66175015-001-12-4 | null | null | MTS010 | 1 | 0.697793 | 4.449177 | 0.408577 | 0.770505 | 0.006301 | null | afatinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | oncology | non-small cell lung cancer (NSCLC) | CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | Launched | false | ACH-000925_FAILED_STR |
BRD-K67844266-003-01-9 | null | null | MTS010 | 1 | 0.580917 | 5.022987 | 0.327544 | 0.715741 | 0.013844 | 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 | false | ACH-000925_FAILED_STR |
BRD-K69001009-001-02-8 | null | null | MTS010 | 1 | 0.905482 | -8.762159 | -0.00765 | 0.939237 | 0.31248 | 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 | false | ACH-000925_FAILED_STR |
BRD-K69694239-001-02-2 | null | null | MTS010 | 1 | 0.379226 | 3.468586 | 0.700132 | 0.829391 | 0.69452 | 1.046088 | 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 | false | ACH-000925_FAILED_STR |
BRD-K69776681-001-03-8 | null | null | MTS010 | 1 | 0.376702 | 5.988174 | 0.700673 | 0.642238 | 0.038093 | 0.048127 | 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 | false | ACH-000925_FAILED_STR |
BRD-K70301465-001-05-9 | null | null | MTS010 | 1 | 0.849183 | -0.176238 | -0.037394 | 0.914363 | 0.403245 | 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 | false | ACH-000925_FAILED_STR |
BRD-K70401845-001-15-7 | null | null | MTS010 | 1 | 0.715857 | 5.52879 | 0.280801 | 0.878035 | 0.155205 | 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 | false | ACH-000925_FAILED_STR |
BRD-K73838513-003-05-5 | null | null | MTS010 | 1 | 0.315067 | 2.622152 | 0.4992 | 0.947126 | 5.008073 | 7.318208 | 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 | false | ACH-000925_FAILED_STR |
BRD-K74514084-003-09-2 | null | null | MTS010 | 1 | 0.526827 | -1.142412 | 0.085623 | 0.973658 | 0.000531 | 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 | false | ACH-000925_FAILED_STR |
BRD-K75009076-001-02-1 | null | null | MTS010 | 1 | -0.61372 | 3.821947 | 0.456739 | 0.965727 | 9.537403 | 7.734344 | 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 | false | ACH-000925_FAILED_STR |
BRD-K76210423-001-01-6 | null | null | MTS010 | 1 | 0.733842 | 1.559552 | 0.158681 | 0.952039 | 1.817034 | null | resiquimod | toll-like receptor agonist | TLR7, TLR8 | null | null | CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O, CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K76239644-001-02-6 | null | null | MTS010 | 1 | 0.427463 | 0.986322 | 0.761957 | 0.745129 | 0.134235 | 0.950414 | 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 | false | ACH-000925_FAILED_STR |
BRD-K76674262-001-03-3 | null | null | MTS010 | 1 | 0.319966 | 0.478524 | 0.67564 | 0.663105 | 0.082457 | 0.697069 | 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 | false | ACH-000925_FAILED_STR |
BRD-K76908866-001-07-6 | null | null | MTS010 | 1 | 0.910244 | 0.12736 | -0.155455 | 0.965016 | 2.943633 | 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 | false | ACH-000925_FAILED_STR |
BRD-K77625799-001-07-7 | null | null | MTS010 | 1 | 0.237597 | 0.466451 | 0.31117 | 0.780054 | 1.097407 | 4.371684 | 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 | false | ACH-000925_FAILED_STR |
BRD-K79254416-001-21-8 | null | null | MTS010 | 1 | 0.762196 | 0.097564 | -0.053175 | 0.858348 | 0.001369 | 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 | false | ACH-000925_FAILED_STR |
BRD-K81418486-001-44-2 | null | null | MTS010 | 1 | 0.593673 | 1.920339 | 0.193289 | 0.946079 | 2.888185 | 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 | false | ACH-000925_FAILED_STR |
BRD-K81473043-001-19-5 | null | null | MTS010 | 1 | 0.230019 | 0.747624 | 0.747573 | 0.80782 | 0.069992 | 0.1596 | 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 | false | ACH-000925_FAILED_STR |
BRD-K82135108-001-04-3 | null | null | MTS010 | 1 | 0.445508 | 0.45184 | 0.066516 | 0.62512 | 0.008622 | 1.164405 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K82746043-001-19-3 | null | null | MTS010 | 1 | 0.262241 | 1.757126 | 0.921583 | 0.750756 | 0.377481 | 0.57626 | 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 | false | ACH-000925_FAILED_STR |
BRD-K82818427-001-04-8 | null | null | MTS010 | 1 | 1.192214 | -2.715267 | 0.206631 | 1 | 0.384489 | 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 | false | ACH-000925_FAILED_STR |
BRD-K83029223-001-01-3 | null | null | MTS010 | 1 | 0.432467 | 2.268494 | 0.811453 | 0.653024 | 0.001655 | 0.004001 | 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 | false | ACH-000925_FAILED_STR |
BRD-K83988098-001-02-0 | null | null | MTS010 | 1 | 0.302206 | 0.318852 | 0.313229 | 0.699512 | 0.003458 | 0.063377 | 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 | false | ACH-000925_FAILED_STR |
BRD-K85402309-043-01-9 | null | null | MTS010 | 1 | 0.301429 | 0.407989 | 0.246631 | 0.747919 | 0.481283 | 4.62815 | 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 | false | ACH-000925_FAILED_STR |
BRD-K85606544-001-09-1 | null | null | MTS010 | 1 | 0.553223 | 0.334647 | -0.056384 | 0.673598 | 0.002228 | 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 | false | ACH-000925_FAILED_STR |
BRD-K86118762-001-01-8 | null | null | MTS010 | 1 | 0.977052 | -0.058087 | -0.098044 | 0.986064 | 148.887161 | 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 | false | ACH-000925_FAILED_STR |
BRD-K86972824-001-01-4 | null | null | MTS010 | 1 | 0.821306 | 0.191653 | -0.086173 | 0.920983 | 0.28593 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K87737963-001-06-0 | null | null | MTS010 | 1 | 0.72084 | -1.166776 | -0.034507 | 0.778338 | 1.478744 | 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 | false | ACH-000925_FAILED_STR |
BRD-K87782578-001-01-4 | null | null | MTS010 | 1 | 0.259969 | 2.95331 | 0.503006 | 0.911086 | 3.15054 | 4.039229 | 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 | false | ACH-000925_FAILED_STR |
BRD-K87909389-003-03-4 | null | null | MTS010 | 1 | 0.207648 | 5.185552 | 0.698475 | 0.913238 | 0.293682 | 0.325698 | 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 | false | ACH-000925_FAILED_STR |
BRD-K88510285-001-17-8 | null | null | MTS010 | 1 | 0.118572 | 4.92462 | 0.537122 | 0.820545 | 0.114995 | 0.121493 | 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 | false | ACH-000925_FAILED_STR |
BRD-K89014967-001-04-3 | null | null | MTS010 | 1 | 0.102423 | 0.280292 | 0.661028 | 0.472032 | 0.018131 | 0.041077 | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K92441787-001-04-1 | null | null | MTS010 | 1 | 1.093792 | 0.754893 | -0.026489 | 1 | 0.247592 | 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 | false | ACH-000925_FAILED_STR |
BRD-K92723993-001-17-4 | null | null | MTS010 | 1 | 8.120055 | 1.527657 | 0.135286 | 1 | 75.324908 | 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 | false | ACH-000925_FAILED_STR |
BRD-K95142244-001-01-5 | null | null | MTS010 | 1 | 0.204384 | 0.308944 | 0.610087 | 0.572641 | 0.04423 | 0.242381 | talazoparib | PARP inhibitor | PARP2 | null | null | Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K96123349-236-02-8 | null | null | MTS010 | 1 | 0.735963 | 0.169169 | 0.05779 | 0.858286 | 0.031188 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K98572433-001-02-9 | null | null | MTS010 | 1 | 0.428363 | 0.731839 | 0.269453 | 0.646777 | 0.023036 | 0.327667 | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K99113996-001-02-0 | null | null | MTS010 | 1 | 1.193816 | 1.158709 | 0.072451 | 1 | 2.593114 | null | AZD2014 | mTOR inhibitor | MTOR | null | null | CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K99616396-001-05-1 | null | null | MTS010 | 1 | 0.706518 | -0.376259 | 0.094293 | 0.793124 | 1.396691 | 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 | false | ACH-000925_FAILED_STR |
BRD-M97302542-001-04-4 | null | null | MTS010 | 1 | 0.90709 | 1.688693 | 0.023827 | 0.954936 | 0.090324 | null | dichloroacetate | pyruvate dehydrogenase kinase inhibitor | PDK1 | null | null | [Na].OC(=O)C(Cl)Cl, [Na].OC(=O)C(Cl)Cl | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-A70858459-001-01-7 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.247813 | 0.365979 | 0.097953 | 1 | 0.184937 | 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-000926 |
BRD-A74914197-001-02-9 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.793478 | -1.058071 | 0.05773 | 0.967609 | 0.000141 | 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-000926 |
BRD-K02113016-001-19-6 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.354416 | 0.565274 | 0.074644 | 1 | 0.113778 | 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-000926 |
BRD-K02130563-001-11-4 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.111185 | 3.440695 | 0.787644 | 0.630771 | 0.177481 | 0.190941 | 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-000926 |
BRD-K03390685-001-01-7 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.594659 | 1.09042 | 0.50406 | 0.773235 | 0.043594 | 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-000926 |
BRD-K03406345-001-21-1 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.759986 | 0.380412 | 0.245027 | 1 | 7.916313 | 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-000926 |
BRD-K03449891-001-08-6 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.019629 | 2.50865 | -0.024391 | 1 | 0.020973 | 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-000926 |
BRD-K03765900-001-01-9 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.264869 | 0.659655 | 0.203959 | 0.905115 | 6.799947 | 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-000926 |
BRD-K05804044-001-18-5 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.74667 | 0.237058 | 0.038552 | 0.840216 | 0.006436 | null | 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-000926 |
BRD-K06814349-304-02-7 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.781399 | -0.056103 | -0.014325 | 0.873431 | 23.68439 | 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-000926 |
BRD-K08109215-001-06-4 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.006324 | -0.20296 | -0.024144 | 1 | 1.29975 | 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-000926 |
BRD-K08542803-001-02-3 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.046816 | 9.459475 | 0.63826 | 0.802057 | 1.332787 | 1.346733 | 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-000926 |
BRD-K08547377-001-04-4 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.759421 | 0.399995 | 0.264933 | 1 | 1.086129 | 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-000926 |
BRD-K08703257-001-13-9 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.962078 | 2.521172 | -0.053947 | 0.97145 | 0.006706 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000926 |
BRD-K08799216-001-05-3 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.405055 | 0.278731 | 0.155881 | 0.740905 | 0.227203 | 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-000926 |
BRD-K09951645-001-11-8 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 1.260504 | 0.573846 | 0.125517 | 1 | 0.032796 | 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-000926 |
BRD-K11267252-001-05-1 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.991282 | -0.313874 | -0.046171 | 0.993877 | 1.940449 | 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-000926 |
BRD-K11630072-001-13-2 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.830398 | -0.050522 | -0.223417 | 0.883964 | 370,656.417609 | 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-000926 |
BRD-K12184916-001-19-6 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.641109 | 6.077788 | 0.287666 | 0.838292 | 0.122827 | 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-000926 |
BRD-K12343256-001-14-7 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.448904 | 0.756483 | 0.545648 | 0.669118 | 0.027869 | 0.568319 | 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-000926 |
BRD-K13049116-001-04-0 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.638506 | 4.950231 | 0.57861 | 0.71954 | 0.005372 | 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-000926 |
BRD-K13390322-001-06-3 | ACH-000926 | HT55_LARGE_INTESTINE | MTS010 | 1 | 0.867988 | -1.243951 | 0.056436 | 0.921069 | 0.203148 | null | 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-000926 |
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