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-K69776681-001-03-8 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.006813 | 0.483822 | 0.346455 | 0.671875 | 0.605172 | 0.622579 | volasertib | PLK inhibitor | PLK1 | null | null | CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O, CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O | Phase 3 | true | ACH-000924 |
BRD-K70301465-001-05-9 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 1.157201 | -0.066988 | 0.012878 | 1 | 0.00437 | null | ibrutinib | Bruton's tyrosine kinase (BTK) inhibitor | BLK, BMX, BTK | hematologic malignancy | chronic lymphocytic leukemia (CLL), mantle cell lymphoma (MCL), Waldenstrom's macroglobulinemia (WM) | Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C, Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C | Launched | true | ACH-000924 |
BRD-K70401845-001-15-7 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.963972 | -1.113394 | -0.012935 | 0.969796 | 2.473669 | null | erlotinib | EGFR inhibitor | EGFR, NR1I2 | oncology | non-small cell lung cancer (NSCLC), pancreatic cancer | COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC, COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC | Launched | true | ACH-000924 |
BRD-K73838513-003-05-5 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.578891 | 0.772094 | 0.396386 | 0.871991 | 0.59786 | null | cinacalcet | calcium channel activator | CASR | endocrinology, nephrology, oncology | hyperparathyroidism, chronic kidney disease (CKD), parathyroid carcinoma, hypercalcemia | C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 | Launched | true | ACH-000924 |
BRD-K74514084-003-09-2 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.803207 | -0.082752 | -0.098474 | 0.93249 | 0.000027 | null | pazopanib | KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | CSF1R, FGF1, FGFR1, FGFR3, FLT1, FLT4, ITK, KDR, KIT, PDGFRA, PDGFRB, SH2B3 | oncology | renal cell carcinoma (RCC), soft tissue sarcoma (STS) | CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1, CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 | Launched | true | ACH-000924 |
BRD-K75009076-001-02-1 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.026679 | 1.586853 | 0.806284 | 0.847256 | 2.31294 | 2.394291 | SCH-900776 | CHK inhibitor | CDK2, CHEK1 | null | null | Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1, Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1 | Phase 2 | true | ACH-000924 |
BRD-K76210423-001-01-6 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 1.103428 | -0.284779 | 0.023477 | 1 | 0.010182 | null | resiquimod | toll-like receptor agonist | TLR7, TLR8 | null | null | CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O, CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O | Phase 3 | true | ACH-000924 |
BRD-K76239644-001-02-6 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.81643 | -1.952109 | 0.073242 | 0.859904 | 1.01013 | null | BMS-690514 | EGFR inhibitor, VEGFR inhibitor | EGFR, ERBB2, FLT3, KDR | null | null | COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1, COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 | Phase 2 | true | ACH-000924 |
BRD-K76674262-001-03-3 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.113658 | 11.392115 | 0.710179 | 0.730263 | 0.521636 | 0.533579 | homoharringtonine | protein synthesis inhibitor | RPL3 | hematologic malignancy | chronic myeloid leukemia (CML) | COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC | Launched | true | ACH-000924 |
BRD-K76908866-001-07-6 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.907923 | 0.415741 | -0.005392 | 0.927294 | 0.001357 | null | CP-724714 | EGFR inhibitor, protein tyrosine kinase inhibitor | ERBB2 | null | null | COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 | Phase 2 | true | ACH-000924 |
BRD-K79254416-001-21-8 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.430363 | 0.364453 | 0.368898 | 0.735091 | 0.126136 | null | decitabine | DNA methyltransferase inhibitor | DNMT1, DNMT3A | hematologic malignancy, hematology | myelodysplastic diseases (MDS), anemia, chronic myeloid leukemia (CML) | Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 | Launched | true | ACH-000924 |
BRD-K81016934-001-02-0 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.890554 | 1.536032 | 0.063745 | 0.90414 | 0.00182 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-000924 |
BRD-K81418486-001-44-2 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.45446 | 0.631552 | 0.093883 | 0.945146 | 12.804247 | 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 | true | ACH-000924 |
BRD-K81473043-001-19-5 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.28307 | 2.610506 | 0.801352 | 0.707312 | 0.011888 | 0.01637 | tanespimycin | HSP inhibitor | HSP90AA1 | null | null | CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O | Phase 3 | true | ACH-000924 |
BRD-K82135108-001-04-3 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.240124 | 5.300268 | 0.709189 | 0.561864 | 0.037142 | 0.042023 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-000924 |
BRD-K82746043-001-19-3 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 1.182524 | -0.11523 | -0.047288 | 1 | 2,746.015011 | null | navitoclax | BCL inhibitor | BCL2, BCL2L1, BCL2L2 | null | null | CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1, CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 | Phase 2 | true | ACH-000924 |
BRD-K82818427-001-04-8 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.480105 | 0.637373 | 0.730338 | 0.802726 | 0.284722 | null | batimastat | matrix metalloprotease inhibitor | ADAM28, ADAMTS5, MMP12, MMP16, MMP2, MMP8 | null | null | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO, CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO | Phase 3 | true | ACH-000924 |
BRD-K83029223-001-01-3 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.681776 | 0.915326 | 0.386424 | 0.810668 | 0.001894 | null | litronesib | kinesin-like spindle protein inhibitor | KIF11 | null | null | CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)c1ccccc1 | Phase 2 | true | ACH-000924 |
BRD-K83988098-001-02-0 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.363556 | 2.218557 | 0.768862 | 0.811825 | 0.008859 | 0.015908 | alvespimycin | HSP inhibitor | HSP90AA1 | null | null | CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O | Phase 2 | true | ACH-000924 |
BRD-K85402309-043-01-9 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 1.080311 | -0.504929 | -0.123792 | 1 | 0.039153 | null | dovitinib | EGFR inhibitor, FGFR inhibitor, FLT3 inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor | CSF1R, EGFR, FGFR1, FGFR2, FGFR3, FLT1, FLT3, FLT4, INSR, KDR, KIT, PDGFRA, PDGFRB | null | null | CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O | Phase 3 | true | ACH-000924 |
BRD-K85606544-001-09-1 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.835965 | -3.139495 | 0.045795 | 0.862944 | 2.031192 | null | neratinib | EGFR inhibitor | EGFR, ERBB2, KDR | null | null | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C | Phase 3 | true | ACH-000924 |
BRD-K86118762-001-01-8 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.736479 | 0.725042 | 0.058595 | 0.866781 | 0.073777 | null | linsitinib | IGF-1 inhibitor | IGF1R, INSR, INSRR | null | null | C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12, C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 | Phase 3 | true | ACH-000924 |
BRD-K86972824-001-01-4 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.898238 | -0.257632 | 0.027694 | 0.939193 | 0.438851 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-000924 |
BRD-K87737963-001-06-0 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.909095 | -7.553288 | 0.124672 | 0.927882 | 1.345766 | null | cyt387 | null | JAK1, JAK2, JAK3 | null | null | O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1, O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 | Phase 3 | true | ACH-000924 |
BRD-K87909389-003-03-4 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.135965 | 5.733832 | 0.45645 | 0.747102 | 0.583972 | 0.617203 | alvocidib | CDK inhibitor | CDK1, CDK2, CDK4, CDK5, CDK6, CDK7, CDK8, CDK9, EGFR, PYGM | null | null | CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl, CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl | Phase 2 | true | ACH-000924 |
BRD-K88510285-001-17-8 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.231096 | 9.930902 | 0.578964 | 0.839772 | 0.331103 | 0.352442 | bortezomib | NFkB pathway inhibitor, proteasome inhibitor | PSMA1, PSMA2, PSMA3, PSMA4, PSMA5, PSMA6, PSMA7, PSMA8, PSMB1, PSMB10, PSMB11, PSMB2, PSMB3, PSMB4, PSMB5, PSMB6, PSMB7, PSMB8, PSMB9, PSMD1, PSMD2, RELA | hematologic malignancy | multiple myeloma, mantle cell lymphoma (MCL) | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O | Launched | true | ACH-000924 |
BRD-K89014967-001-04-3 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.792062 | -2.308889 | -0.091327 | 0.936885 | 0.011598 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-000924 |
BRD-K92441787-001-04-1 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.732652 | 0.346219 | -0.00001 | 0.869461 | 0.092201 | null | bexarotene | retinoid receptor agonist | RXRA, RXRB, RXRG | hematologic malignancy | cutaneous T-cell lymphoma (CTCL) | Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C | Launched | true | ACH-000924 |
BRD-K92723993-001-17-4 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 129.577131 | 0.179233 | -0.119997 | 1 | 2,456,306,381,685,944,000,000,000,000,000,000,000 | null | imatinib | Bcr-Abl kinase inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor | ABL1, CSF1R, DDR1, KIT, NTRK1, PDGFRA, PDGFRB, RET | hematologic malignancy, oncology | chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL), myelodysplastic diseases (MDS), aggressive systemic mastocytosis (ASM), hypereosinophilic syndrome (HES), chronic eosinophilic leukemia (CEL), dermatofibrosarcoma protuberans (DFSP), gastrointestinal stromal tumors (GIST) | CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 | Launched | true | ACH-000924 |
BRD-K95142244-001-01-5 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 1.454912 | 1.394189 | 0.544673 | 1 | 0.03405 | null | talazoparib | PARP inhibitor | PARP2 | null | null | Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 | Phase 3 | true | ACH-000924 |
BRD-K96123349-236-02-8 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 1.265147 | 0.369675 | 0.069658 | 1 | 0.099201 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-000924 |
BRD-K98572433-001-02-9 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 1.041426 | 0.294131 | -0.01103 | 1 | 9.971259 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-000924 |
BRD-K99113996-001-02-0 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.832217 | 0.14303 | 0.007834 | 0.934812 | 2.106471 | 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-000924 |
BRD-K99749624-001-07-0 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 1.017014 | -0.268191 | -0.01457 | 1 | 0.013576 | 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-000924 |
BRD-M97302542-001-04-4 | ACH-000924 | NCIH2172_LUNG | MTS010 | 1 | 0.860948 | 0.516641 | 0.043721 | 0.913766 | 0.019458 | 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-000924 |
BRD-A25234499-001-19-1 | null | null | MTS010 | 1 | 1.289403 | -0.121884 | 0.040342 | 1 | 0.090055 | 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 | false | ACH-000925_FAILED_STR |
BRD-A70858459-001-01-7 | null | null | MTS010 | 1 | 1.089209 | -0.312156 | 0.029328 | 1 | 0.013274 | 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 | false | ACH-000925_FAILED_STR |
BRD-A74914197-001-02-9 | null | null | MTS010 | 1 | 0.846305 | 0.178137 | 0.002409 | 0.926835 | 0.008642 | 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 | false | ACH-000925_FAILED_STR |
BRD-K02113016-001-19-6 | null | null | MTS010 | 1 | 0.565337 | 0.721394 | 0.361986 | 0.789046 | 0.090859 | 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 | false | ACH-000925_FAILED_STR |
BRD-K02130563-001-11-4 | null | null | MTS010 | 1 | 0.125146 | 0.803236 | 0.725969 | 0.612993 | 0.139956 | 0.20033 | 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 | false | ACH-000925_FAILED_STR |
BRD-K03390685-001-01-7 | null | null | MTS010 | 1 | 0.32958 | 1.157574 | 0.780868 | 0.677682 | 0.094256 | 0.238852 | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | false | ACH-000925_FAILED_STR |
BRD-K03406345-001-21-1 | null | null | MTS010 | 1 | 0.795 | -0.049936 | 0.000942 | 0.884837 | 11.56599 | 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 | false | ACH-000925_FAILED_STR |
BRD-K03449891-001-08-6 | null | null | MTS010 | 1 | 1.133982 | -8.975714 | 0.05215 | 1 | 0.295598 | 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 | false | ACH-000925_FAILED_STR |
BRD-K03765900-001-01-9 | null | null | MTS010 | 1 | 0.424944 | 0.277024 | 0.048607 | 0.678652 | 0.015178 | 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 | false | ACH-000925_FAILED_STR |
BRD-K05804044-001-18-5 | null | null | MTS010 | 1 | 0.9234 | -1.670663 | -0.206071 | 0.982949 | 0.005204 | 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 | false | ACH-000925_FAILED_STR |
BRD-K06814349-304-02-7 | null | null | MTS010 | 1 | 0.68034 | 0.482179 | 0.408302 | 0.858487 | 0.153643 | 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 | false | ACH-000925_FAILED_STR |
BRD-K08109215-001-06-4 | null | null | MTS010 | 1 | 0.454774 | 3.714839 | 0.857475 | 0.904148 | 1.816607 | 3.468775 | 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 | false | ACH-000925_FAILED_STR |
BRD-K08542803-001-02-3 | null | null | MTS010 | 1 | 0.094837 | 5.709065 | 0.543459 | 0.836459 | 1.731858 | 1.796849 | 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 | false | ACH-000925_FAILED_STR |
BRD-K08547377-001-04-4 | null | null | MTS010 | 1 | 0.395863 | 1.519991 | 0.769563 | 0.54553 | 0.006637 | 0.018631 | 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 | false | ACH-000925_FAILED_STR |
BRD-K08703257-001-13-9 | null | null | MTS010 | 1 | 1.058896 | 10.788284 | -0.002561 | 1 | 1.227835 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K08799216-001-05-3 | null | null | MTS010 | 1 | 0.192677 | 0.23898 | 0.05954 | 0.724552 | 0.759978 | 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 | false | ACH-000925_FAILED_STR |
BRD-K09951645-001-11-8 | null | null | MTS010 | 1 | 1.349732 | 0.249326 | 0.174096 | 1 | 0.021702 | 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 | false | ACH-000925_FAILED_STR |
BRD-K11267252-001-05-1 | null | null | MTS010 | 1 | 1.163178 | -1.057367 | 0.137695 | 1 | 0.508692 | 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 | false | ACH-000925_FAILED_STR |
BRD-K11630072-001-13-2 | null | null | MTS010 | 1 | 0.54997 | -0.104037 | -0.0652 | 0.832518 | 0.000462 | 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 | false | ACH-000925_FAILED_STR |
BRD-K12184916-001-19-6 | null | null | MTS010 | 1 | 0.563148 | 1.001496 | 0.146758 | 0.838203 | 0.274405 | 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 | false | ACH-000925_FAILED_STR |
BRD-K12343256-001-14-7 | null | null | MTS010 | 1 | 0.408884 | 3.764771 | 0.810196 | 0.635245 | 0.025078 | 0.039417 | 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 | false | ACH-000925_FAILED_STR |
BRD-K13049116-001-04-0 | null | null | MTS010 | 1 | 0.338243 | 2.17007 | 0.932797 | 0.714042 | 0.150932 | 0.253884 | 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 | false | ACH-000925_FAILED_STR |
BRD-K13390322-001-06-3 | null | null | MTS010 | 1 | 0.106983 | 1.278677 | 0.718668 | 0.680448 | 0.313154 | 0.378035 | AT-7519 | CDK inhibitor | CDK1, CDK2, CDK4, CDK5, CDK6, CDK9 | null | null | Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K13514097-001-04-6 | null | null | MTS010 | 1 | 1.560049 | -1.033214 | 0.156484 | 1 | 2.83722 | 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 | false | ACH-000925_FAILED_STR |
BRD-K13662825-001-07-5 | null | null | MTS010 | 1 | 0.114637 | 0.84203 | 0.86397 | 0.419351 | 0.004029 | 0.00549 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K14109347-001-03-4 | null | null | MTS010 | 1 | 0.908806 | -0.088751 | -0.011513 | 0.952359 | 0.217975 | null | 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 | false | ACH-000925_FAILED_STR |
BRD-K15179879-001-03-2 | null | null | MTS010 | 1 | 0.215067 | 4.917449 | 0.721003 | 0.628241 | 0.100891 | 0.113113 | 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 | false | ACH-000925_FAILED_STR |
BRD-K15600710-066-05-8 | null | null | MTS010 | 1 | 0.752459 | 0.222941 | -0.06088 | 0.84753 | 0.007555 | null | obatoclax | BCL inhibitor | BCL2 | null | null | COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1, COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K16730910-001-10-7 | null | null | MTS010 | 1 | 73.507252 | 0.673146 | -0.010671 | 1 | 97,771,681,039.69972 | 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 | false | ACH-000925_FAILED_STR |
BRD-K17555800-003-02-3 | null | null | MTS010 | 1 | 0.886141 | -0.169391 | -0.10395 | 0.931682 | 0.976189 | 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 | false | ACH-000925_FAILED_STR |
BRD-K17610631-001-03-3 | null | null | MTS010 | 1 | 0.334757 | 7.736218 | 0.600784 | 0.776562 | 0.372004 | 0.429242 | 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 | false | ACH-000925_FAILED_STR |
BRD-K17743125-001-08-4 | null | null | MTS010 | 1 | 0.160228 | 8.29079 | 0.30089 | 0.950514 | 5.650606 | 5.920167 | 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 | false | ACH-000925_FAILED_STR |
BRD-K17894950-001-14-3 | null | null | MTS010 | 1 | 0.610986 | 4.53177 | 0.487135 | 0.8727 | 0.417645 | null | indirubin | CDK inhibitor, glycogen synthase kinase inhibitor | CDK1, CDK5, GSK3A | null | null | O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O | Phase 2/Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K18961567-001-01-1 | null | null | MTS010 | 1 | 0.577119 | -0.131502 | -0.097719 | 0.835396 | 0.002268 | 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 | false | ACH-000925_FAILED_STR |
BRD-K19540840-001-09-4 | null | null | MTS010 | 1 | 0.401245 | 1.386613 | 0.498812 | 0.738052 | 0.143496 | 0.462209 | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K19687926-001-04-1 | null | null | MTS010 | 1 | 0.606058 | 1.381144 | 0.137187 | 0.754368 | 0.023448 | 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 | false | ACH-000925_FAILED_STR |
BRD-K19796430-001-05-6 | null | null | MTS010 | 1 | 0.742097 | 1.363977 | -0.042225 | 0.866021 | 0.064607 | 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 | false | ACH-000925_FAILED_STR |
BRD-K22064724-001-01-8 | null | null | MTS010 | 1 | 0.107322 | 3.292797 | 0.510955 | 0.846801 | 1.893381 | 2.037539 | napabucasin | STAT inhibitor | STAT3 | null | null | CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O, CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K22822991-001-02-3 | null | null | MTS010 | 1 | 0.734211 | 0.62488 | 0.108552 | 0.85821 | 0.0546 | 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 | false | ACH-000925_FAILED_STR |
BRD-K23228615-001-02-8 | null | null | MTS010 | 1 | 0.630031 | 1.3782 | 0.334058 | 0.823086 | 0.09657 | 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 | false | ACH-000925_FAILED_STR |
BRD-K23984367-001-07-5 | null | null | MTS010 | 1 | 0.964689 | -0.064392 | -0.023698 | 0.975755 | 16,741.984062 | 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 | false | ACH-000925_FAILED_STR |
BRD-K26026438-001-01-0 | null | null | MTS010 | 1 | 0.719623 | 1.468261 | 0.120145 | 0.797886 | 0.009041 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K26657438-001-15-2 | null | null | MTS010 | 1 | 0.866727 | -0.168334 | -0.087548 | 0.950498 | 0.0029 | 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 | false | ACH-000925_FAILED_STR |
BRD-K28822270-001-03-7 | null | null | MTS010 | 1 | 0.40781 | 0.565587 | 0.641558 | 0.821085 | 0.77961 | null | 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 | false | ACH-000925_FAILED_STR |
BRD-K29905972-001-06-3 | null | null | MTS010 | 1 | 0.35545 | 1.544204 | 0.281492 | 0.848159 | 1.036283 | 2.314703 | 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 | false | ACH-000925_FAILED_STR |
BRD-K30577245-001-05-0 | null | null | MTS010 | 1 | 0.294081 | 0.300274 | 0.610803 | 0.564391 | 0.000763 | 0.014646 | 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 | false | ACH-000925_FAILED_STR |
BRD-K31698212-001-02-9 | null | null | MTS010 | 1 | 0.67064 | 2.796212 | 0.333337 | 0.930686 | 1.298772 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | false | ACH-000925_FAILED_STR |
BRD-K31928526-001-02-1 | null | null | MTS010 | 1 | 0.390944 | 1.155444 | 0.535145 | 0.75846 | 0.215051 | 0.803332 | 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 | false | ACH-000925_FAILED_STR |
BRD-K33379087-001-07-5 | null | null | MTS010 | 1 | 0.472588 | 0.50406 | 0.273888 | 0.831276 | 0.664215 | null | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K33610132-001-02-9 | null | null | MTS010 | 1 | 0.983639 | 0.057828 | -0.039356 | 0.991826 | 0.080213 | 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 | false | ACH-000925_FAILED_STR |
BRD-K33622447-066-01-9 | null | null | MTS010 | 1 | 0.439341 | 1.40387 | 0.576381 | 0.782082 | 0.230844 | 1.037173 | 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 | false | ACH-000925_FAILED_STR |
BRD-K35520305-001-16-9 | null | null | MTS010 | 1 | 1.038403 | -0.613157 | -0.103962 | 1 | 0.064331 | 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 | false | ACH-000925_FAILED_STR |
BRD-K36627727-001-05-4 | null | null | MTS010 | 1 | 0.990777 | -0.23114 | -0.010947 | 0.995371 | 0.081046 | 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 | false | ACH-000925_FAILED_STR |
BRD-K36788280-001-01-2 | null | null | MTS010 | 1 | 0.697329 | 0.643399 | 0.206467 | 0.819036 | 0.027496 | 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 | false | ACH-000925_FAILED_STR |
BRD-K37379014-001-02-0 | null | null | MTS010 | 1 | 0.571534 | 1.44149 | 0.237341 | 0.682473 | 0.000115 | null | filanesib | kinesin inhibitor, kinesin-like spindle protein inhibitor | KIF11 | null | null | CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F, CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K38332599-001-01-3 | null | null | MTS010 | 1 | 0.441224 | 4.402131 | 0.536685 | 0.822783 | 0.460587 | 0.749064 | 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 | false | ACH-000925_FAILED_STR |
BRD-K38527262-300-01-0 | null | null | MTS010 | 1 | 0.211016 | 1.398972 | 0.48042 | 0.797589 | 0.780735 | 1.155301 | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | false | ACH-000925_FAILED_STR |
BRD-K38852836-001-02-1 | null | null | MTS010 | 1 | 0.156974 | 0.745338 | 0.833728 | 0.648996 | 0.046186 | 0.076571 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K39974922-001-04-3 | null | null | MTS010 | 1 | 0.917352 | -0.297164 | -0.015306 | 0.963715 | 0.029839 | 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 | false | ACH-000925_FAILED_STR |
BRD-K41859756-001-06-8 | null | null | MTS010 | 1 | 0.235957 | 3.228407 | 0.464398 | 0.706192 | 0.059946 | 0.073056 | 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 | false | ACH-000925_FAILED_STR |
BRD-K42495768-001-01-7 | null | null | MTS010 | 1 | 0.42962 | 5.423669 | 0.363524 | 0.958206 | 4.930447 | 7.077711 | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | false | ACH-000925_FAILED_STR |
BRD-K42805893-001-04-9 | null | null | MTS010 | 1 | 0.318367 | 2.540375 | 0.492281 | 0.850244 | 1.187935 | 1.769736 | 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 | false | ACH-000925_FAILED_STR |
BRD-K42828737-001-03-3 | null | null | MTS010 | 1 | 0.962248 | 0.460636 | -0.004416 | 0.979293 | 0.043517 | 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 | false | ACH-000925_FAILED_STR |
BRD-K42898655-001-01-8 | null | null | MTS010 | 1 | 1.130003 | -0.822087 | -0.076544 | 1 | 0.02277 | 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 | false | ACH-000925_FAILED_STR |
BRD-K43389675-001-02-1 | null | null | MTS010 | 1 | -0.062623 | 0.253657 | 0.52306 | 0.467475 | 0.076539 | 0.048067 | 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 | false | ACH-000925_FAILED_STR |
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