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-K58529924-001-01-5 | null | null | MTS010 | 1 | 0.668497 | -0.108914 | -0.116455 | 0.80736 | 1.791534 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K58550667-001-08-7 | null | null | MTS010 | 1 | 0.113275 | 1.133222 | 0.417685 | 0.762377 | 0.04863 | 0.061003 | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K59317601-001-05-5 | null | null | MTS010 | 1 | 0.688422 | 6.067302 | -0.114955 | 0.925741 | 0.989717 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K60866521-001-07-1 | null | null | MTS010 | 1 | 1.240551 | 0.015811 | 0.003235 | 1 | 0.765398 | 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-001078_FAILED_STR |
BRD-K60997853-001-02-3 | null | null | MTS010 | 1 | 0.420816 | 3.822755 | 0.18748 | 0.803793 | 0.373441 | 0.604759 | 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-001078_FAILED_STR |
BRD-K61192372-001-08-9 | null | null | MTS010 | 1 | 0.799066 | 4.265939 | 0.237711 | 0.896301 | 0.066813 | 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-001078_FAILED_STR |
BRD-K62008436-001-23-9 | null | null | MTS010 | 1 | 1.355436 | -1.294875 | 0.073117 | 1 | 0.057708 | 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 | false | ACH-001078_FAILED_STR |
BRD-K62196610-001-01-6 | null | null | MTS010 | 1 | 0.510307 | 4.202987 | 0.344429 | 0.841393 | 0.431426 | 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-001078_FAILED_STR |
BRD-K62200014-003-10-5 | null | null | MTS010 | 1 | 0.754619 | -0.189305 | -0.153216 | 0.777086 | 25,985.184581 | 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-001078_FAILED_STR |
BRD-K62391742-001-09-7 | null | null | MTS010 | 1 | 0.745868 | 3.525441 | 0.418141 | 0.896794 | 0.194253 | 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-001078_FAILED_STR |
BRD-K62627508-001-01-5 | null | null | MTS010 | 1 | 0.124038 | 0.679992 | 0.752597 | 0.506759 | 0.040341 | 0.061354 | 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-001078_FAILED_STR |
BRD-K63712959-001-01-8 | null | null | MTS010 | 1 | 0.534231 | -4.341996 | 0.458423 | 0.775762 | 0.065227 | 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-001078_FAILED_STR |
BRD-K64881305-001-03-7 | null | null | MTS010 | 1 | 1.17117 | 0.244569 | 0.013211 | 1 | 0.701608 | 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 | false | ACH-001078_FAILED_STR |
BRD-K66175015-001-12-4 | null | null | MTS010 | 1 | 0.258903 | 1.031086 | 0.409466 | 0.73717 | 0.328773 | 0.666996 | 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-001078_FAILED_STR |
BRD-K67844266-003-01-9 | null | null | MTS010 | 1 | 0.690397 | -1.269862 | -0.031731 | 0.943446 | 0.00329 | 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-001078_FAILED_STR |
BRD-K69001009-001-02-8 | null | null | MTS010 | 1 | 3.112345 | 1.383085 | -0.074902 | 1 | 43,431.67798 | 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-001078_FAILED_STR |
BRD-K69776681-001-03-8 | null | null | MTS010 | 1 | 0.373455 | 3.854739 | 0.31328 | 0.87285 | 1.395534 | 1.993161 | 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-001078_FAILED_STR |
BRD-K70301465-001-05-9 | null | null | MTS010 | 1 | 0.734513 | 2.038269 | 0.326424 | 0.887276 | 0.162377 | 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-001078_FAILED_STR |
BRD-K70401845-001-15-7 | null | null | MTS010 | 1 | 1.169592 | -0.022168 | -0.000838 | 1 | 34.295734 | 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-001078_FAILED_STR |
BRD-K73838513-003-05-5 | null | null | MTS010 | 1 | 0.29584 | 0.751631 | 0.269622 | 0.745951 | 0.328918 | 1.082998 | 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-001078_FAILED_STR |
BRD-K74514084-003-09-2 | null | null | MTS010 | 1 | 1.414091 | 0.071059 | -0.013682 | 1 | 0.000042 | 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-001078_FAILED_STR |
BRD-K75009076-001-02-1 | null | null | MTS010 | 1 | 0.107192 | 0.687041 | 0.508532 | 0.726214 | 0.615054 | 0.873836 | 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-001078_FAILED_STR |
BRD-K76210423-001-01-6 | null | null | MTS010 | 1 | 0.62726 | 0.484192 | 0.16121 | 0.730164 | 0.004931 | 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-001078_FAILED_STR |
BRD-K76239644-001-02-6 | null | null | MTS010 | 1 | 0.547023 | -13.339845 | 0.172625 | 0.644293 | 1.244409 | 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 | false | ACH-001078_FAILED_STR |
BRD-K76674262-001-03-3 | null | null | MTS010 | 1 | 0.178261 | 0.607763 | 0.713573 | 0.456427 | 0.013253 | 0.027376 | 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-001078_FAILED_STR |
BRD-K78431006-001-15-1 | null | null | MTS010 | 1 | 1.163168 | 0.097681 | -0.022607 | 1 | 0.0124 | null | crizotinib | ALK tyrosine kinase receptor inhibitor | ALK, MET | oncology | non-small cell lung cancer (NSCLC) | C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl, C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl, C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl | Launched | false | ACH-001078_FAILED_STR |
BRD-K79254416-001-21-8 | null | null | MTS010 | 1 | 1.01419 | 0.080646 | -0.000827 | 1 | 0.000319 | 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-001078_FAILED_STR |
BRD-K81418486-001-44-2 | null | null | MTS010 | 1 | 0.715438 | 0.106646 | 0.053063 | 0.858168 | 0.082972 | 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-001078_FAILED_STR |
BRD-K81473043-001-19-5 | null | null | MTS010 | 1 | 0.297313 | 0.360835 | 0.006653 | 0.707633 | 0.015651 | 0.191116 | 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-001078_FAILED_STR |
BRD-K83029223-001-01-3 | null | null | MTS010 | 1 | 0.942032 | 1.264117 | 0.147682 | 0.983662 | 0.041576 | 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 | false | ACH-001078_FAILED_STR |
BRD-K83988098-001-02-0 | null | null | MTS010 | 1 | 0.464983 | -0.285951 | -0.190652 | 0.637918 | 0.02369 | 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 | false | ACH-001078_FAILED_STR |
BRD-K85402309-043-01-9 | null | null | MTS010 | 1 | 0.29975 | 0.52032 | -0.438566 | 0.629844 | 0.028932 | 0.167932 | 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-001078_FAILED_STR |
BRD-K85606544-001-09-1 | null | null | MTS010 | 1 | 4.630634 | 1.704432 | 0.250797 | 1 | 31.20688 | 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-001078_FAILED_STR |
BRD-K86972824-001-01-4 | null | null | MTS010 | 1 | 0.392077 | 0.766376 | 0.725747 | 0.753664 | 0.206003 | 1.523021 | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | false | ACH-001078_FAILED_STR |
BRD-K87782578-001-01-4 | null | null | MTS010 | 1 | 0.631884 | 0.373229 | -0.286631 | 0.878401 | 0.829563 | 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 | false | ACH-001078_FAILED_STR |
BRD-K88510285-001-17-8 | null | null | MTS010 | 1 | 0.121301 | 0.601216 | 0.828046 | 0.563503 | 0.010095 | 0.016026 | 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-001078_FAILED_STR |
BRD-K89014967-001-04-3 | null | null | MTS010 | 1 | 0.096264 | 1.107806 | 0.733783 | 0.353716 | 0.009277 | 0.011252 | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K92441787-001-04-1 | null | null | MTS010 | 1 | 0.664811 | -0.143878 | -0.065168 | 0.871666 | 0.002482 | 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-001078_FAILED_STR |
BRD-K92723993-001-17-4 | null | null | MTS010 | 1 | 0.658632 | 1.442773 | 0.023241 | 0.806374 | 0.040627 | 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-001078_FAILED_STR |
BRD-K95142244-001-01-5 | null | null | MTS010 | 1 | 0.578831 | 0.303326 | -0.075539 | 0.702309 | 0.002675 | null | 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-001078_FAILED_STR |
BRD-K99616396-001-05-1 | null | null | MTS010 | 1 | 0.718728 | 0.056495 | -0.020199 | 0.858601 | 0.064382 | 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-001078_FAILED_STR |
BRD-K99749624-001-07-0 | null | null | MTS010 | 1 | 1.20456 | -0.15514 | -0.036692 | 1 | 0.07599 | 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 | false | ACH-001078_FAILED_STR |
BRD-M97302542-001-04-4 | null | null | MTS010 | 1 | 0.650057 | 0.336645 | 0.205963 | 0.820456 | 0.064691 | 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-001078_FAILED_STR |
BRD-A25234499-001-19-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.849993 | 2.84397 | 0.322051 | 0.924976 | 0.077998 | 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-001113 |
BRD-A70858459-001-01-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.595933 | -0.135817 | 0.020766 | 0.900484 | 0.000016 | 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-001113 |
BRD-A74914197-001-02-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.320484 | 0.016737 | -0.005799 | 1 | 0.000056 | 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-001113 |
BRD-K02130563-001-11-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.144628 | 0.826677 | 0.543612 | 0.50011 | 0.033318 | 0.050357 | 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-001113 |
BRD-K03390685-001-01-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.171757 | 0.256222 | 0.007996 | 1 | 2.775506 | 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-001113 |
BRD-K03406345-001-21-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.752097 | -1.257545 | 0.097015 | 0.918826 | 0.014424 | 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-001113 |
BRD-K03449891-001-08-6 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | -0.042225 | 0.865092 | -0.287026 | 0.800191 | 2.011097 | 1.831187 | 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-001113 |
BRD-K03765900-001-01-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.492272 | 0.120093 | 0.104267 | 0.744714 | 0.070959 | 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-001113 |
BRD-K05804044-001-18-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 2.064018 | 1.383842 | 0.216755 | 1 | 9.802802 | 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-001113 |
BRD-K06814349-304-02-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.864008 | -4.822888 | -0.158362 | 0.914285 | 0.276571 | 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-001113 |
BRD-K08109215-001-06-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.65118 | 0.653825 | 0.198706 | 0.81205 | 0.051831 | 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-001113 |
BRD-K08542803-001-02-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.116874 | -5.5798 | -0.004445 | 1 | 0.000099 | 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-001113 |
BRD-K08547377-001-04-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.194576 | -1.388704 | 0.023578 | 1 | 2.279867 | 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-001113 |
BRD-K08703257-001-13-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.034795 | -0.022215 | -0.000959 | 1 | 0.004137 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-001113 |
BRD-K08799216-001-05-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.097971 | 0.00057 | -0.000249 | 1 | 0.000011 | 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-001113 |
BRD-K09951645-001-11-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.015669 | -0.313762 | -0.076606 | 1 | 1.153478 | 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-001113 |
BRD-K11267252-001-05-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.82923 | -0.489206 | 0.040042 | 0.906723 | 0.134237 | 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-001113 |
BRD-K11630072-001-13-2 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | -11.329019 | 2.216458 | 0.042108 | 0.988279 | 57.565676 | 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-001113 |
BRD-K12184916-001-19-6 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.611428 | 0.003601 | -0.032074 | 1 | 349,663,038,636.9691 | 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-001113 |
BRD-K12343256-001-14-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.828582 | 3.607654 | 0.559721 | 1 | 0.244121 | 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-001113 |
BRD-K13390322-001-06-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.182299 | 2.153312 | 0.736272 | 0.73745 | 0.443595 | 0.547593 | 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-001113 |
BRD-K13514097-001-04-6 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 2.622462 | 0.148283 | 0.359341 | 1 | 0.0715 | 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-001113 |
BRD-K13662825-001-07-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.113992 | 0.905682 | 0.436587 | 0.629334 | 0.044127 | 0.058719 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-001113 |
BRD-K15179879-001-03-2 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.155744 | 2.130852 | 0.673319 | 0.51005 | 0.035814 | 0.04267 | 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-001113 |
BRD-K15600710-066-05-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.218776 | 4.817786 | 0.693842 | 0.665164 | 0.153331 | 0.172786 | 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-001113 |
BRD-K16730910-001-10-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 42.872312 | 0.098724 | -0.112898 | 1 | 1,629,133,355,839,895,300,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000 | 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-001113 |
BRD-K17555800-003-02-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.400524 | 0.107975 | -0.080197 | 0.821383 | 259.325667 | 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-001113 |
BRD-K17610631-001-03-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.976684 | -0.498999 | -0.097365 | 0.985941 | 0.252437 | 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-001113 |
BRD-K17743125-001-08-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | -0.42427 | 0.596528 | 0.578341 | 0.781097 | 5.393256 | 1.925494 | 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-001113 |
BRD-K17894950-001-14-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.215328 | -0.087862 | -0.007054 | 1 | 0.851843 | 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-001113 |
BRD-K18961567-001-01-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.37194 | 0.034123 | 0.030421 | 1 | 0.304378 | 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-001113 |
BRD-K19540840-001-09-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.61301 | 0.688998 | 0.078611 | 0.840444 | 0.195489 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-001113 |
BRD-K19687926-001-04-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.791951 | 3.378968 | 0.125775 | 0.916457 | 0.203041 | 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-001113 |
BRD-K19796430-001-05-6 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 46.166322 | 0.791079 | 0.036094 | 1 | 11,908.796429 | 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-001113 |
BRD-K22064724-001-01-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | -0.141318 | 0.672674 | 0.107043 | 0.724046 | 1.335177 | 0.922214 | 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-001113 |
BRD-K22822991-001-02-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.782223 | -1.004526 | 0.124136 | 0.827914 | 1.497708 | 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-001113 |
BRD-K23984367-001-07-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.704397 | 0.139008 | 0.009913 | 0.836944 | 0.016641 | 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-001113 |
BRD-K26026438-001-01-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.249874 | -0.473279 | 0.031632 | 1 | 0.000829 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-001113 |
BRD-K26657438-001-15-2 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.949903 | -0.08101 | -0.007734 | 0.955549 | 11,497,386,990.263489 | 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-001113 |
BRD-K28822270-001-03-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.216128 | 0.610065 | 0.414332 | 0.724163 | 0.412944 | 1.044413 | 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-001113 |
BRD-K29905972-001-06-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.797628 | -3.19596 | -0.08554 | 0.843558 | 1.105513 | 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-001113 |
BRD-K30577245-001-05-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.811735 | -0.135107 | -0.145477 | 0.916454 | 0.000864 | 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-001113 |
BRD-K31698212-001-02-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.571371 | 0.830003 | 0.411639 | 0.865966 | 0.529582 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-001113 |
BRD-K31928526-001-02-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.90257 | 1.304833 | 0.217759 | 1 | 0.264489 | 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-001113 |
BRD-K33379087-001-07-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.602657 | -0.13363 | 0.037618 | 0.8117 | 0.034772 | null | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-001113 |
BRD-K33610132-001-02-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.26089 | 1.0521 | 0.006966 | 1 | 0.158635 | 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-001113 |
BRD-K33622447-066-01-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.586203 | 3.515496 | 0.144741 | 1 | 2.30711 | 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-001113 |
BRD-K35520305-001-16-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.72198 | -0.605051 | 0.016595 | 0.907671 | 0.01228 | 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-001113 |
BRD-K36627727-001-05-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.043481 | 0.078996 | -0.045228 | 1 | 0.015572 | 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-001113 |
BRD-K36788280-001-01-2 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.645314 | -1.01782 | 0.223206 | 0.868783 | 0.021588 | 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-001113 |
BRD-K38332599-001-01-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.970782 | 0.75251 | -0.001021 | 0.984359 | 0.054423 | null | uprosertib | AKT inhibitor | AKT1, AKT2, AKT3 | null | null | Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 | Phase 2 | true | ACH-001113 |
BRD-K38527262-300-01-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.758923 | -0.420417 | -0.1132 | 0.872394 | 0.104105 | null | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-001113 |
BRD-K38852836-001-02-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.859072 | 8.894879 | 0.080354 | 0.971984 | 0.363385 | null | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-001113 |
BRD-K39974922-001-04-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.907356 | -2.416049 | 0.137094 | 0.923791 | 1.799523 | 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-001113 |
BRD-K42495768-001-01-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.887799 | -0.198607 | 0.026423 | 0.929131 | 1.443406 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | true | ACH-001113 |
BRD-K42805893-001-04-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.677886 | 1.485479 | 0.375456 | 0.821976 | 0.046805 | 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-001113 |
BRD-K42828737-001-03-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.863266 | -0.101986 | -0.019027 | 0.921019 | 1.788705 | 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-001113 |
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