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-K96123349-236-02-8 | ACH-000899 | WM88_SKIN | MTS010 | 1 | 0.791008 | 2.737795 | 0.204082 | 0.935295 | 0.495631 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000899 |
BRD-K98572433-001-02-9 | ACH-000899 | WM88_SKIN | MTS010 | 1 | 1.878199 | 0.328496 | 0.386914 | 1 | 0.228079 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000899 |
BRD-K99113996-001-02-0 | ACH-000899 | WM88_SKIN | MTS010 | 1 | 0.615552 | 1.724132 | 0.597935 | 0.76477 | 0.026352 | 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-000899 |
BRD-K99616396-001-05-1 | ACH-000899 | WM88_SKIN | MTS010 | 1 | 1.497258 | 1.827094 | 0.151046 | 1 | 8.990608 | 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-000899 |
BRD-K99749624-001-07-0 | ACH-000899 | WM88_SKIN | MTS010 | 1 | 1.356633 | 2.078965 | 0.344123 | 1 | 0.099986 | 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-000899 |
BRD-M97302542-001-04-4 | ACH-000899 | WM88_SKIN | MTS010 | 1 | 1.003958 | 0.302147 | -0.001326 | 1 | 0.002323 | 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-000899 |
BRD-A70858459-001-01-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | -3.871652 | 1.513191 | 0.29436 | 0.944691 | 30.895437 | 7.371884 | 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-000900 |
BRD-A74914197-001-02-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.447721 | 1.532474 | 0.569149 | 0.769904 | 0.010973 | 0.047889 | 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-000900 |
BRD-K02113016-001-19-6 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | -0.152458 | 0.524733 | 0.522455 | 0.774369 | 3.483535 | 2.097711 | 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-000900 |
BRD-K02130563-001-11-4 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.125856 | 1.486482 | 0.734167 | 0.609999 | 0.131821 | 0.160215 | 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-000900 |
BRD-K03390685-001-01-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.275791 | 3.498389 | 0.733918 | 0.886903 | 2.200033 | 2.766956 | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | true | ACH-000900 |
BRD-K03406345-001-21-1 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.15679 | -0.175976 | -0.029654 | 1 | 0.001542 | 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-000900 |
BRD-K03449891-001-08-6 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.374947 | 1.624002 | 0.312668 | 0.849014 | 0.972573 | 2.283121 | 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-000900 |
BRD-K03765900-001-01-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.334688 | -0.508607 | 0.016678 | 0.903724 | 0.000682 | 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-000900 |
BRD-K05804044-001-18-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.896055 | 0.552076 | 0.016729 | 0.92541 | 0.006265 | 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-000900 |
BRD-K06814349-304-02-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.169593 | 2.948402 | 0.804377 | 0.73168 | 0.434687 | 0.500266 | 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-000900 |
BRD-K08109215-001-06-4 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.834219 | 0.560378 | 0.016562 | 0.900348 | 0.025267 | 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-000900 |
BRD-K08542803-001-02-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.105666 | 8.777175 | 0.92353 | 0.661836 | 0.254893 | 0.261886 | 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-000900 |
BRD-K08547377-001-04-4 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.146056 | 1.393792 | 0.833588 | 0.655142 | 0.199145 | 0.255161 | 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-000900 |
BRD-K08703257-001-13-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.244025 | -0.064972 | -0.034976 | 1 | 19,668.377525 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | true | ACH-000900 |
BRD-K08799216-001-05-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.222033 | 6.132641 | 0.716164 | 0.842607 | 1.403835 | 1.544897 | 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-000900 |
BRD-K09951645-001-11-8 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.926834 | -1.721663 | 0.161695 | 0.978032 | 0.011197 | 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-000900 |
BRD-K11267252-001-05-1 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.151552 | 0.17514 | -0.034831 | 1 | 0.288244 | 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-000900 |
BRD-K11630072-001-13-2 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.367346 | 0.583495 | 0.234308 | 0.866039 | 2.322702 | 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-000900 |
BRD-K12184916-001-19-6 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.399435 | 0.178122 | 0.223782 | 0.655822 | 0.013159 | 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-000900 |
BRD-K12343256-001-14-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.553438 | 2.464516 | 0.655536 | 0.865052 | 0.532702 | 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-000900 |
BRD-K13049116-001-04-0 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.394766 | 0.940791 | 0.69242 | 0.777743 | 0.293278 | 1.537051 | 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-000900 |
BRD-K13390322-001-06-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.113599 | 2.514537 | 0.900136 | 0.774057 | 0.843385 | 0.934433 | 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-000900 |
BRD-K13514097-001-04-6 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.729604 | 0.401635 | 0.024096 | 0.805676 | 0.003974 | 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-000900 |
BRD-K13662825-001-07-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.082119 | 11.089839 | 0.837182 | 0.672056 | 0.078093 | 0.079367 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-000900 |
BRD-K14109347-001-03-4 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.138271 | 5.172397 | 0.750037 | 0.847888 | 1.803195 | 1.919653 | LY2603618 | CHK inhibitor | CHEK1 | null | null | Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1, Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 | Phase 2 | true | ACH-000900 |
BRD-K15179879-001-03-2 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.120875 | 5.897869 | 0.936072 | 0.380566 | 0.010723 | 0.011239 | 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-000900 |
BRD-K15600710-066-05-8 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.278088 | 5.211687 | 0.769909 | 0.715942 | 0.215609 | 0.251975 | 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-000900 |
BRD-K16730910-001-10-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.597174 | 0.112188 | 0.063773 | 0.826711 | 1.017253 | 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-000900 |
BRD-K17610631-001-03-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.503832 | 1.610705 | 0.338144 | 1 | 2.608642 | 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-000900 |
BRD-K17743125-001-08-4 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.107854 | 4.409909 | 0.816227 | 0.84807 | 1.915676 | 2.02415 | 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-000900 |
BRD-K17894950-001-14-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.908843 | 2.274143 | -0.145772 | 0.974391 | 0.65514 | 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-000900 |
BRD-K18961567-001-01-1 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.239512 | 0.833591 | 0.613337 | 0.786086 | 0.740293 | 1.618522 | 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-000900 |
BRD-K19540840-001-09-4 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.807973 | -0.822994 | 0.067576 | 0.969503 | 0.00191 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-000900 |
BRD-K19687926-001-04-1 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.467382 | -1.187678 | 0.133865 | 0.951416 | 0.001029 | 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-000900 |
BRD-K19796430-001-05-6 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.976566 | 0.004166 | -0.005027 | 0.990574 | 15,206,902,014,449,490,000,000,000,000,000,000,000,000 | 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-000900 |
BRD-K22064724-001-01-8 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.127375 | 1.30046 | 0.826812 | 0.525099 | 0.050766 | 0.063644 | 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-000900 |
BRD-K22822991-001-02-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.977412 | 0.573281 | 0.009297 | 0.986964 | 0.033354 | 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-000900 |
BRD-K23228615-001-02-8 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.574085 | 3.458352 | 0.550086 | 0.894794 | 0.909832 | 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-000900 |
BRD-K23984367-001-07-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.712246 | 1.996475 | 0.464162 | 0.901256 | 0.3581 | 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-000900 |
BRD-K26026438-001-01-0 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.44992 | 0.364433 | 0.361592 | 0.812725 | 0.738696 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-000900 |
BRD-K26657438-001-15-2 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.936647 | -0.068664 | -0.064121 | 0.9655 | 1.080744 | 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-000900 |
BRD-K28822270-001-03-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.25689 | 3.676169 | 0.692043 | 0.808366 | 0.856845 | 1.042551 | 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-000900 |
BRD-K29905972-001-06-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.406554 | 1.124959 | 0.424068 | 0.870508 | 1.311224 | 5.823359 | 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-000900 |
BRD-K30577245-001-05-0 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.099114 | 1.078828 | 0.805254 | 0.534264 | 0.004131 | 0.00507 | 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-000900 |
BRD-K31698212-001-02-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.146323 | -0.032314 | -0.000816 | 1 | 8,151.661734 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-000900 |
BRD-K31928526-001-02-1 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.520242 | 2.804404 | 0.323451 | 0.949373 | 3.666626 | 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-000900 |
BRD-K33379087-001-07-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.080799 | 1.938649 | 0.814477 | 0.810295 | 1.364069 | 1.4939 | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-000900 |
BRD-K33610132-001-02-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.023595 | 2.418635 | 0.681563 | 0.952883 | 7.352632 | 7.501064 | 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-000900 |
BRD-K33622447-066-01-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.558054 | 8.258293 | 0.347398 | 0.914205 | 1.519856 | 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-000900 |
BRD-K35520305-001-16-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.990439 | -0.118751 | -0.000002 | 0.993531 | 46.177098 | 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-000900 |
BRD-K36627727-001-05-4 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.312893 | 0.126051 | -0.06199 | 1 | 1.324983 | 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-000900 |
BRD-K36788280-001-01-2 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.924975 | -1.830645 | -0.052458 | 0.954995 | 0.205957 | 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-000900 |
BRD-K37379014-001-02-0 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.102985 | 1.648275 | 0.874633 | 0.726209 | 0.008105 | 0.009322 | 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-000900 |
BRD-K38332599-001-01-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.090845 | 6.987975 | 0.77338 | 0.848608 | 1.986897 | 2.044737 | 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-000900 |
BRD-K38527262-300-01-0 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | -0.190174 | 4.747758 | 0.497056 | 0.968454 | 7.660168 | 7.157391 | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | true | ACH-000900 |
BRD-K38852836-001-02-1 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.299164 | 1.257547 | 0.774935 | 0.515623 | 0.003006 | 0.006209 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | true | ACH-000900 |
BRD-K39974922-001-04-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.893099 | 0.813256 | 0.156455 | 0.942626 | 0.053925 | 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-000900 |
BRD-K41859756-001-06-8 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.34175 | 2.998513 | 0.788292 | 0.489228 | 0.001344 | 0.001973 | NVP-AUY922 | HSP inhibitor | HSP90AA1, HSP90AB1 | null | null | CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O, CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O, CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O | Phase 2 | true | ACH-000900 |
BRD-K42805893-001-04-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.070357 | 0.138567 | -0.017051 | 1 | 0.014606 | 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-000900 |
BRD-K42828737-001-03-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.340868 | 2.59069 | 0.607356 | 0.869021 | 1.457554 | 2.267501 | 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-000900 |
BRD-K42898655-001-01-8 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.786888 | 2.476277 | 0.318655 | 0.906391 | 0.0088 | null | temsirolimus | mTOR inhibitor | MTOR | oncology | renal cell carcinoma (RCC) | CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@@H]1OC(=O)C(C)(CO)CO | Launched | true | ACH-000900 |
BRD-K43389675-001-02-1 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.079509 | 1.549413 | 0.839018 | 0.415236 | 0.02096 | 0.023438 | daunorubicin | RNA synthesis inhibitor, topoisomerase inhibitor | TOP2A, TOP2B | hematologic malignancy | acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL) | COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O, COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O | Launched | true | ACH-000900 |
BRD-K44227013-001-06-4 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.49815 | 2.788479 | 0.540322 | 0.85064 | 0.556785 | 4.147436 | ponatinib | Bcr-Abl kinase inhibitor, FLT3 inhibitor, PDGFR tyrosine kinase receptor inhibitor | ABL1, BCR, FGFR1, FGFR2, FGFR3, FGFR4, FLT3, KDR, KIT, LCK, LYN, PDGFRA, RET, SRC, TEK | hematologic malignancy | chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL) | CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1, CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 | Launched | true | ACH-000900 |
BRD-K44408410-001-17-6 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.097098 | 6.07985 | 0.504059 | 0.907303 | 3.693734 | 3.827267 | 2-methoxyestradiol | hypoxia inducible factor inhibitor | COMT, CYP19A1, CYP1A1, CYP1B1, HIF1A, TUBB | null | null | COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O, COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O | Phase 2 | true | ACH-000900 |
BRD-K46386702-001-02-1 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.821253 | -0.989945 | 0.22839 | 0.930501 | 0.025983 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | true | ACH-000900 |
BRD-K49328571-001-15-0 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.559892 | -1.354926 | 0.087572 | 0.952423 | 0.00142 | null | dasatinib | Bcr-Abl kinase inhibitor, ephrin inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, src inhibitor, tyrosine kinase inhibitor | ABL1, ABL2, BLK, EPHA2, FGR, FRK, FYN, HCK, KIT, LCK, LYN, PDGFRB, SRC, SRMS, STAT5B, YES1 | hematologic malignancy | chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL) | Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1, Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 | Launched | true | ACH-000900 |
BRD-K49350383-001-14-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.280687 | 0.929447 | 0.453657 | 0.844598 | 1.448327 | 3.51512 | thioguanine | purine antagonist | IMPDH1, IMPDH2 | hematologic malignancy | acute myeloid leukemia (AML) | Nc1nc2nc[nH]c2c(=S)[nH]1, Nc1nc2nc[nH]c2c(=S)[nH]1, Nc1nc2nc[nH]c2c(=S)[nH]1 | Launched | true | ACH-000900 |
BRD-K50010139-001-01-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.980185 | 0.4861 | -0.113755 | 0.989441 | 0.053089 | null | poziotinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C, COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C | Phase 2 | true | ACH-000900 |
BRD-K50168500-001-07-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.686634 | 0.00973 | 0.000387 | 0.84399 | 0.188845 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-000900 |
BRD-K51313569-001-07-8 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.298032 | 29.424556 | 0.289272 | 0.998072 | 9.940866 | 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 | true | ACH-000900 |
BRD-K51791723-003-01-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | -0.140432 | 0.731452 | 0.35532 | 0.757239 | 1.772743 | 1.263785 | 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 | true | ACH-000900 |
BRD-K51967704-001-03-6 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.283454 | 4.68779 | 0.575341 | 0.698455 | 0.168397 | 0.201307 | 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 | true | ACH-000900 |
BRD-K52313696-001-12-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.18156 | 0.938957 | 0.024021 | 1 | 0.57335 | null | tacedinaline | HDAC inhibitor | HDAC1 | null | null | CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N, CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N | Phase 3 | true | ACH-000900 |
BRD-K53414658-001-08-2 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.644651 | 0.847645 | 0.256802 | 0.881969 | 0.428975 | 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 | true | ACH-000900 |
BRD-K54256913-001-08-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.065583 | 2.59662 | 0.833056 | 0.700285 | 0.444827 | 0.46958 | 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 | true | ACH-000900 |
BRD-K54955827-001-02-2 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.268663 | 6.412191 | 0.597329 | 0.898038 | 2.584685 | 2.914802 | 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 | true | ACH-000900 |
BRD-K54997624-001-06-0 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.10026 | -1.437047 | 0.054824 | 1 | 1.507347 | 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 | true | ACH-000900 |
BRD-K55187425-236-05-2 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.133827 | 6.379056 | 0.827022 | 0.531899 | 0.052758 | 0.055398 | 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 | true | ACH-000900 |
BRD-K56343971-001-14-8 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.944222 | -0.14954 | -0.015416 | 0.974028 | 0.029886 | 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 | true | ACH-000900 |
BRD-K56981171-001-02-8 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.747454 | -0.108406 | -0.020041 | 0.851906 | 2.104124 | 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 | true | ACH-000900 |
BRD-K57080016-001-15-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.078498 | -0.06427 | -0.02219 | 1 | 1,808,341.535451 | null | 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 | true | ACH-000900 |
BRD-K57169635-001-04-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.203757 | 4.055509 | 0.598051 | 0.890217 | 2.626464 | 2.988296 | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-000900 |
BRD-K58435339-001-03-0 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.237736 | 1.11827 | 0.58151 | 0.5521 | 0.033091 | 0.058925 | 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 | true | ACH-000900 |
BRD-K58529924-001-01-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.682987 | -0.059699 | -0.063382 | 0.855923 | 0.003807 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-000900 |
BRD-K58550667-001-08-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.173135 | 1.202296 | 0.674561 | 0.651969 | 0.010569 | 0.015052 | FK-866 | niacinamide phosphoribosyltransferase inhibitor | NAMPT | null | null | O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 | Phase 2 | true | ACH-000900 |
BRD-K59317601-001-05-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.578187 | 3.32927 | 0.604885 | 0.754071 | 0.034892 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-000900 |
BRD-K59369769-001-22-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.282983 | 0.471552 | 0.399963 | 0.748385 | 0.477351 | 2.802384 | 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 | true | ACH-000900 |
BRD-K60866521-001-07-1 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.916209 | -3.207214 | 0.079197 | 0.952825 | 0.143949 | null | idelalisib | PI3K inhibitor | PIK3CA, PIK3CB, PIK3CD, PIK3CG | hematologic malignancy | chronic lymphocytic leukemia (CLL) | CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 | Launched | true | ACH-000900 |
BRD-K60997853-001-02-3 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.13429 | 4.074539 | 0.699014 | 0.877551 | 2.536653 | 2.739039 | PHA-848125 | CDK inhibitor, growth factor receptor inhibitor | CDK2, CDK4, CDK7, NTRK1 | null | null | CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 | Phase 2 | true | ACH-000900 |
BRD-K61192372-001-08-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.849979 | -1.014598 | 0.150769 | 0.938315 | 0.032515 | null | capecitabine | DNA synthesis inhibitor, thymidylate synthase inhibitor | TYMS | oncology | breast cancer, colorectal cancer | CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O | Launched | true | ACH-000900 |
BRD-K62008436-001-23-9 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.095107 | 4.623669 | 0.489415 | 0.472979 | 0.002193 | 0.002295 | paclitaxel | tubulin polymerization inhibitor | BCL2, MAP2, MAP4, MAPT, NR1I2, TLR4, TUBB, TUBB1 | oncology | ovarian cancer, breast cancer, non-small cell lung cancer (NSCLC) | CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 | Launched | true | ACH-000900 |
BRD-K62196610-001-01-6 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.205441 | 3.85563 | 0.528786 | 0.880721 | 2.331876 | 2.674894 | AVN-944 | inosine monophosphate dehydrogenase inhibitor | IMPDH1, IMPDH2 | null | null | CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1 | Phase 2 | true | ACH-000900 |
BRD-K62200014-003-10-5 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 1.253114 | 0.172861 | -0.105784 | 1 | 0.401676 | 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-000900 |
BRD-K62391742-001-09-7 | ACH-000900 | NCIH23_LUNG | MTS010 | 1 | 0.860637 | 0.913926 | 0.125977 | 0.9116 | 0.020387 | 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-000900 |
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