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-001075 | NCIH292_LUNG | MTS010 | 1 | 0.432158 | -1.564857 | -0.29962 | 0.956956 | 0.000998 | null | volasertib | PLK inhibitor | PLK1 | null | null | CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O, CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O | Phase 3 | true | ACH-001075 |
BRD-K70301465-001-05-9 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.514468 | 0.944028 | 0.300463 | 0.789697 | 0.151594 | 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-001075 |
BRD-K70401845-001-15-7 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.457294 | 4.319967 | 0.437098 | 0.761453 | 0.140422 | 0.248183 | 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-001075 |
BRD-K73838513-003-05-5 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 1.088548 | -0.025816 | -0.001712 | 1 | 0.002121 | 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-001075 |
BRD-K74514084-003-09-2 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.980956 | -0.308673 | 0.004087 | 0.987506 | 0.909678 | 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-001075 |
BRD-K75009076-001-02-1 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.630703 | 0.309576 | -0.08811 | 0.800331 | 0.041933 | null | SCH-900776 | CHK inhibitor | CDK2, CHEK1 | null | null | Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1, Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1 | Phase 2 | true | ACH-001075 |
BRD-K76210423-001-01-6 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 1.21197 | -0.064113 | -0.102663 | 1 | 0.000827 | 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-001075 |
BRD-K76239644-001-02-6 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.290651 | 3.133465 | 0.637334 | 0.754842 | 0.349441 | 0.461359 | 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-001075 |
BRD-K76674262-001-03-3 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.092003 | 12.182851 | 0.817659 | 0.672943 | 0.303315 | 0.308424 | 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-001075 |
BRD-K77625799-001-07-7 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.235819 | 0.822569 | 0.446483 | 0.783277 | 0.725977 | 1.576722 | vandetanib | EGFR inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor | EGFR, EPHA1, EPHA10, EPHA2, EPHA3, EPHA4, EPHA5, EPHA6, EPHA7, EPHA8, EPHB1, EPHB2, EPHB3, EPHB4, EPHB6, ERBB2, ERBB3, ERBB4, FLT1, FLT4, KDR, PTK6, RET, SRC, TEK, VEGFA | oncology | medullary thyroid cancer (MTC) | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 | Launched | true | ACH-001075 |
BRD-K78431006-001-15-1 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.764192 | 0.133115 | 0.05711 | 0.874677 | 0.029333 | 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 | true | ACH-001075 |
BRD-K79254416-001-21-8 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 1.527202 | 6.559257 | 0.204193 | 1 | 0.822573 | 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-001075 |
BRD-K81016934-001-02-0 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.966135 | 0.302731 | -0.007779 | 0.97718 | 0.004775 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-001075 |
BRD-K81418486-001-44-2 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.850878 | -1.520665 | -0.182716 | 0.930227 | 0.057168 | 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-001075 |
BRD-K81473043-001-19-5 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.871487 | -2.115737 | 0.107814 | 0.941693 | 0.003114 | null | tanespimycin | HSP inhibitor | HSP90AA1 | null | null | CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O | Phase 3 | true | ACH-001075 |
BRD-K82135108-001-04-3 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.270455 | 1.043079 | 0.480418 | 0.661188 | 0.110814 | 0.233741 | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-001075 |
BRD-K82746043-001-19-3 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.772514 | 0.17521 | -0.010869 | 0.820536 | 0.000029 | 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-001075 |
BRD-K82818427-001-04-8 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.838103 | -0.017377 | -0.03756 | 0.921999 | 0.001177 | 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-001075 |
BRD-K83029223-001-01-3 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 1.706334 | 1.292362 | 0.215363 | 1 | 0.001586 | 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-001075 |
BRD-K83988098-001-02-0 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.766906 | 0.035806 | 0.007909 | 0.880488 | 0.000293 | null | alvespimycin | HSP inhibitor | HSP90AA1 | null | null | CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O | Phase 2 | true | ACH-001075 |
BRD-K85402309-043-01-9 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.852632 | -3.651789 | -0.099456 | 0.884442 | 1.231151 | 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-001075 |
BRD-K85606544-001-09-1 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.508746 | 1.54922 | 0.627687 | 0.814279 | 0.255595 | 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-001075 |
BRD-K86118762-001-01-8 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 1.01864 | -0.165645 | -0.008532 | 1 | 0.109684 | 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-001075 |
BRD-K86972824-001-01-4 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.569616 | 0.707469 | 0.125185 | 0.861156 | 0.507455 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-001075 |
BRD-K87737963-001-06-0 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.95866 | 0.29022 | -0.016287 | 0.970456 | 0.002061 | 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-001075 |
BRD-K87782578-001-01-4 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.829947 | 1.061077 | 0.011058 | 0.897153 | 0.027846 | null | AVL-292 | Bruton's tyrosine kinase (BTK) inhibitor | BTK, YES1 | null | null | COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 | Phase 2 | true | ACH-001075 |
BRD-K87909389-003-03-4 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.076278 | 1.189921 | 0.789434 | 0.553004 | 0.091393 | 0.105034 | 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-001075 |
BRD-K88510285-001-17-8 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.182875 | 7.91944 | 0.562939 | 0.684509 | 0.059048 | 0.062542 | 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-001075 |
BRD-K89014967-001-04-3 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.703542 | 0.163075 | 0.05465 | 0.762222 | 0.00001 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-001075 |
BRD-K92441787-001-04-1 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 1.253442 | 2.217412 | 0.130587 | 1 | 3.040755 | 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-001075 |
BRD-K95142244-001-01-5 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.383644 | 6.241366 | 0.521834 | 0.872955 | 1.352886 | 1.708887 | 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-001075 |
BRD-K96123349-236-02-8 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.953508 | 0.20234 | -0.020884 | 0.985697 | 5.807175 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-001075 |
BRD-K98572433-001-02-9 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.387957 | 2.304693 | 0.804926 | 0.597867 | 0.017011 | 0.032552 | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-001075 |
BRD-K99113996-001-02-0 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.838465 | 0.170516 | 0.005988 | 0.901876 | 0.005236 | 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-001075 |
BRD-K99616396-001-05-1 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.808041 | 0.695054 | 0.124057 | 0.903066 | 0.074169 | 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-001075 |
BRD-K99749624-001-07-0 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.831694 | 0.347927 | 0.069518 | 0.883724 | 0.004719 | 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-001075 |
BRD-M97302542-001-04-4 | ACH-001075 | NCIH292_LUNG | MTS010 | 1 | 0.986291 | -0.088054 | -0.006663 | 0.991261 | 52.064844 | 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-001075 |
BRD-A25234499-001-19-1 | null | null | MTS010 | 1 | 0.70597 | 2.279094 | 0.185194 | 0.882675 | 0.208099 | 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-001078_FAILED_STR |
BRD-A70858459-001-01-7 | null | null | MTS010 | 1 | 0.871739 | -0.435047 | -0.061621 | 0.909357 | 1.131861 | 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-001078_FAILED_STR |
BRD-A74914197-001-02-9 | null | null | MTS010 | 1 | 0.319374 | -0.125206 | -0.228714 | 0.736706 | 0.00011 | 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-001078_FAILED_STR |
BRD-K02113016-001-19-6 | null | null | MTS010 | 1 | -0.903146 | 0.045452 | -0.041376 | 0.845628 | 14,143,148,170,895,084,000,000 | 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-001078_FAILED_STR |
BRD-K03390685-001-01-7 | null | null | MTS010 | 1 | 0.057292 | 0.609495 | 0.521099 | 0.411094 | 0.020096 | 0.024537 | cobimetinib | MEK inhibitor | null | oncology | melanoma | OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1 | Launched | false | ACH-001078_FAILED_STR |
BRD-K03449891-001-08-6 | null | null | MTS010 | 1 | 0.846181 | -6.557312 | 0.037562 | 0.954362 | 0.007198 | 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-001078_FAILED_STR |
BRD-K05804044-001-18-5 | null | null | MTS010 | 1 | 0.141963 | 1.862644 | 0.545205 | 0.720578 | 0.424745 | 0.508156 | 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-001078_FAILED_STR |
BRD-K08542803-001-02-3 | null | null | MTS010 | 1 | 0.122152 | 3.84573 | 0.691106 | 0.755595 | 0.670781 | 0.721462 | 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-001078_FAILED_STR |
BRD-K08547377-001-04-4 | null | null | MTS010 | 1 | 0.183837 | 0.197156 | 0.318745 | 0.602539 | 0.103743 | 1.060758 | 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-001078_FAILED_STR |
BRD-K08703257-001-13-9 | null | null | MTS010 | 1 | 0.837157 | -1.243042 | 0.319641 | 0.900795 | 0.226916 | null | 3-amino-benzamide | PARP inhibitor | PARP1 | null | null | NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1 | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K09951645-001-11-8 | null | null | MTS010 | 1 | 0.375162 | 0.428639 | -0.355919 | 0.750945 | 0.280275 | 7.136578 | 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-001078_FAILED_STR |
BRD-K11267252-001-05-1 | null | null | MTS010 | 1 | 1.562671 | 0.666844 | 0.06162 | 1 | 2.474286 | 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-001078_FAILED_STR |
BRD-K11630072-001-13-2 | null | null | MTS010 | 1 | 0.121172 | 0.395281 | 0.525816 | 0.668619 | 0.398131 | 0.803423 | 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-001078_FAILED_STR |
BRD-K12184916-001-19-6 | null | null | MTS010 | 1 | 0.341442 | 4.223159 | 0.060079 | 0.716952 | 0.150267 | 0.197232 | 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-001078_FAILED_STR |
BRD-K12343256-001-14-7 | null | null | MTS010 | 1 | 0.139011 | 2.444989 | 0.91602 | 0.353354 | 0.006825 | 0.007797 | 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-001078_FAILED_STR |
BRD-K13390322-001-06-3 | null | null | MTS010 | 1 | 2.3807 | 2.869944 | 0.667679 | 1 | 0.336689 | null | 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-001078_FAILED_STR |
BRD-K13514097-001-04-6 | null | null | MTS010 | 1 | 2.839674 | -0.176257 | 0.288153 | 1 | 0.007837 | 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-001078_FAILED_STR |
BRD-K13662825-001-07-5 | null | null | MTS010 | 1 | 0.128178 | 0.553647 | 0.044769 | 0.545752 | 0.015477 | 0.026426 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | false | ACH-001078_FAILED_STR |
BRD-K15179879-001-03-2 | null | null | MTS010 | 1 | 0.201153 | 6.512727 | 0.547931 | 0.639471 | 0.125277 | 0.135576 | 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-001078_FAILED_STR |
BRD-K15600710-066-05-8 | null | null | MTS010 | 1 | 0.2054 | 4.028426 | 0.707031 | 0.667617 | 0.169453 | 0.193232 | 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-001078_FAILED_STR |
BRD-K16730910-001-10-7 | null | null | MTS010 | 1 | 0.831152 | 0.3944 | 0.020455 | 0.910519 | 0.052795 | 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-001078_FAILED_STR |
BRD-K17610631-001-03-3 | null | null | MTS010 | 1 | 0.520697 | 1.075454 | -0.004557 | 0.880854 | 0.932472 | 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 | false | ACH-001078_FAILED_STR |
BRD-K19540840-001-09-4 | null | null | MTS010 | 1 | 3.034775 | 3.138822 | 0.167684 | 1 | 7.681933 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | false | ACH-001078_FAILED_STR |
BRD-K19687926-001-04-1 | null | null | MTS010 | 1 | 0.304046 | 0.689003 | 0.33001 | 0.730601 | 0.255399 | 0.994632 | 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-001078_FAILED_STR |
BRD-K22064724-001-01-8 | null | null | MTS010 | 1 | 0.190916 | 2.59773 | 0.765313 | 0.575574 | 0.06153 | 0.074044 | 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-001078_FAILED_STR |
BRD-K22822991-001-02-3 | null | null | MTS010 | 1 | 1.149322 | -0.129412 | -0.051696 | 1 | 2.648204 | 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-001078_FAILED_STR |
BRD-K23228615-001-02-8 | null | null | MTS010 | 1 | 0.934518 | -1.340272 | -0.023319 | 0.996843 | 0.000551 | 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-001078_FAILED_STR |
BRD-K23984367-001-07-5 | null | null | MTS010 | 1 | 0.727316 | -0.962623 | -0.074356 | 0.875305 | 0.051186 | 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-001078_FAILED_STR |
BRD-K26026438-001-01-0 | null | null | MTS010 | 1 | 0.774285 | -0.099922 | -0.024212 | 0.882053 | 0.196168 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K26657438-001-15-2 | null | null | MTS010 | 1 | 0.942338 | -1.393692 | -0.033001 | 0.96407 | 0.259072 | 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-001078_FAILED_STR |
BRD-K29905972-001-06-3 | null | null | MTS010 | 1 | 1.144041 | 0.413663 | -0.128809 | 1 | 0.194408 | 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 | false | ACH-001078_FAILED_STR |
BRD-K31698212-001-02-9 | null | null | MTS010 | 1 | 0.937789 | 0.072631 | -0.070385 | 0.965758 | 0.004679 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | false | ACH-001078_FAILED_STR |
BRD-K31928526-001-02-1 | null | null | MTS010 | 1 | 1.592046 | 2.167559 | -0.163001 | 1 | 0.232822 | 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 | false | ACH-001078_FAILED_STR |
BRD-K33622447-066-01-9 | null | null | MTS010 | 1 | 0.065271 | 0.545825 | 0.289237 | 0.574994 | 0.129745 | 0.167646 | 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-001078_FAILED_STR |
BRD-K36627727-001-05-4 | null | null | MTS010 | 1 | 0.831047 | 1.022568 | 0.141342 | 0.904502 | 0.041074 | 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-001078_FAILED_STR |
BRD-K36788280-001-01-2 | null | null | MTS010 | 1 | 0.510681 | 0.800806 | 0.234364 | 0.671903 | 0.013594 | 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-001078_FAILED_STR |
BRD-K37379014-001-02-0 | null | null | MTS010 | 1 | -0.14797 | -1.080722 | -0.024631 | 0.925025 | 0.000009 | 0.000012 | 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-001078_FAILED_STR |
BRD-K38527262-300-01-0 | null | null | MTS010 | 1 | 0.348931 | 0.531679 | 0.378102 | 0.762875 | 0.150566 | 1.430129 | atiprimod | JAK inhibitor, STAT inhibitor | JAK2, STAT3 | null | null | CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1 | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K38852836-001-02-1 | null | null | MTS010 | 1 | 0.181465 | 1.113462 | 0.858867 | 0.548495 | 0.011799 | 0.017688 | ganetespib | HSP inhibitor | HSP90AA1 | null | null | CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O | Phase 3 | false | ACH-001078_FAILED_STR |
BRD-K39974922-001-04-3 | null | null | MTS010 | 1 | 0.91697 | -0.718533 | 0.00774 | 0.952639 | 0.161813 | 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-001078_FAILED_STR |
BRD-K41859756-001-06-8 | null | null | MTS010 | 1 | 0.066415 | 0.37624 | 0.030348 | 0.351002 | 0.001271 | 0.001856 | 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-001078_FAILED_STR |
BRD-K42495768-001-01-7 | null | null | MTS010 | 1 | 1.030905 | -0.281985 | -0.124996 | 1 | 1.290485 | null | tasisulam | apoptosis stimulant | null | null | null | Clc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 | Phase 3 | false | ACH-001078_FAILED_STR |
BRD-K42805893-001-04-9 | null | null | MTS010 | 1 | 0.334882 | 0.982205 | 0.335737 | 0.747 | 0.255588 | 0.789649 | 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-001078_FAILED_STR |
BRD-K42828737-001-03-3 | null | null | MTS010 | 1 | 1.178821 | 0.178542 | -0.01109 | 1 | 0.000267 | 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-001078_FAILED_STR |
BRD-K42898655-001-01-8 | null | null | MTS010 | 1 | 2.300863 | 0.24151 | 0.00282 | 1 | 0.064974 | 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-001078_FAILED_STR |
BRD-K43389675-001-02-1 | null | null | MTS010 | 1 | 0.107505 | 3.561227 | 0.452506 | 0.732704 | 0.546687 | 0.585142 | 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-001078_FAILED_STR |
BRD-K44227013-001-06-4 | null | null | MTS010 | 1 | 0.347573 | 6.491755 | 0.445677 | 0.806906 | 0.565741 | 0.679343 | ponatinib | Bcr-Abl kinase inhibitor, FLT3 inhibitor, PDGFR tyrosine kinase receptor inhibitor | ABL1, BCR, FGFR1, FGFR2, FGFR3, FGFR4, FLT3, KDR, KIT, LCK, LYN, PDGFRA, RET, SRC, TEK | hematologic malignancy | chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL) | CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1, CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 | Launched | false | ACH-001078_FAILED_STR |
BRD-K44408410-001-17-6 | null | null | MTS010 | 1 | 0.696745 | -0.266136 | -0.129534 | 0.889054 | 0.007531 | null | 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 | false | ACH-001078_FAILED_STR |
BRD-K44827188-001-06-0 | null | null | MTS010 | 1 | 0.819949 | -0.51385 | 0.001201 | 0.88105 | 0.51259 | null | vismodegib | hedgehog pathway inhibitor, smoothened receptor antagonist | SMO | oncology | basal cell carcinoma (BCC) | Clc1cc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)S(C)(=O)=O | Launched | false | ACH-001078_FAILED_STR |
BRD-K46386702-001-02-1 | null | null | MTS010 | 1 | 0.378486 | -0.003353 | -0.152794 | 0.685785 | 59.651359 | null | ARRY-334543 | EGFR inhibitor | ERBB2 | null | null | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K49328571-001-15-0 | null | null | MTS010 | 1 | 0.323747 | -1.231988 | 0.056575 | 0.898064 | 0.002276 | 0.000976 | dasatinib | Bcr-Abl kinase inhibitor, ephrin inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, src inhibitor, tyrosine kinase inhibitor | ABL1, ABL2, BLK, EPHA2, FGR, FRK, FYN, HCK, KIT, LCK, LYN, PDGFRB, SRC, SRMS, STAT5B, YES1 | hematologic malignancy | chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL) | Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1, Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 | Launched | false | ACH-001078_FAILED_STR |
BRD-K50010139-001-01-5 | null | null | MTS010 | 1 | 0.572738 | -12.900399 | 0.325791 | 0.664227 | 1.251755 | 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 | false | ACH-001078_FAILED_STR |
BRD-K50168500-001-07-9 | null | null | MTS010 | 1 | 0.196846 | 0.510724 | 0.5796 | 0.606811 | 0.088054 | 0.23455 | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | false | ACH-001078_FAILED_STR |
BRD-K51313569-001-07-8 | null | null | MTS010 | 1 | 0.617607 | 0.459824 | 0.173852 | 0.835082 | 0.179283 | null | palbociclib | CDK inhibitor | CDK4, CDK6 | oncology | breast cancer | CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O, CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O | Launched | false | ACH-001078_FAILED_STR |
BRD-K51791723-003-01-7 | null | null | MTS010 | 1 | 0.087673 | 0.347376 | 0.477778 | 0.506756 | 0.043953 | 0.076563 | P276-00 | CDK inhibitor | CDK1, CDK4, CDK9 | null | null | CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K51967704-001-03-6 | null | null | MTS010 | 1 | 0.177014 | 2.806219 | 0.784759 | 0.669575 | 0.203158 | 0.237391 | BIIB021 | HSP inhibitor | HSP90AA1 | null | null | COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C, COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K52313696-001-12-3 | null | null | MTS010 | 1 | 0.874402 | -2.86397 | -0.113017 | 0.955279 | 0.019321 | null | tacedinaline | HDAC inhibitor | HDAC1 | null | null | CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N, CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N | Phase 3 | false | ACH-001078_FAILED_STR |
BRD-K53414658-001-08-2 | null | null | MTS010 | 1 | 0.718322 | -3.122095 | 0.158716 | 0.866774 | 0.060083 | null | tivozanib | VEGFR inhibitor | FLT1, FLT4, KDR, KIT, PDGFRA, PDGFRB | null | null | COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC | Phase 3 | false | ACH-001078_FAILED_STR |
BRD-K54256913-001-08-7 | null | null | MTS010 | 1 | 0.815881 | 0.281589 | 0.006712 | 0.938497 | 1.290837 | null | MK-1775 | WEE1 kinase inhibitor | WEE1 | null | null | CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 | Phase 2 | false | ACH-001078_FAILED_STR |
BRD-K54955827-001-02-2 | null | null | MTS010 | 1 | 0.536189 | 0.853585 | 0.578274 | 0.708854 | 0.021543 | null | niraparib | PARP inhibitor | PARP1 | oncology | primary peritoneal cancer (PPC) | NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1, NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 | Launched | false | ACH-001078_FAILED_STR |
BRD-K55187425-236-05-2 | null | null | MTS010 | 1 | 0.285749 | 7.488562 | 0.475831 | 0.821771 | 0.887778 | 0.994168 | rigosertib | cell cycle inhibitor, PLK inhibitor | PLK1 | null | null | COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 | Phase 3 | false | ACH-001078_FAILED_STR |
BRD-K56343971-001-14-8 | null | null | MTS010 | 1 | 0.618075 | 0.770814 | 0.069852 | 0.820768 | 0.106776 | null | vemurafenib | RAF inhibitor | BRAF, RAF1 | oncology | melanoma | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F | Launched | false | ACH-001078_FAILED_STR |
BRD-K56981171-001-02-8 | null | null | MTS010 | 1 | 0.793399 | -4.051924 | -0.238102 | 0.859644 | 0.445254 | null | brigatinib | ALK tyrosine kinase receptor inhibitor, EGFR inhibitor | ALK, EGFR | oncology | non-small cell lung cancer (NSCLC) | COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1, COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 | Launched | false | ACH-001078_FAILED_STR |
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