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-K42898655-001-01-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.818623 | 3.108974 | 0.422821 | 1 | 0.000709 | 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-001113 |
BRD-K43389675-001-02-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.058806 | 4.764583 | 0.269748 | 0.887786 | 3.146837 | 3.230571 | 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-001113 |
BRD-K44227013-001-06-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.726919 | 1.015151 | -0.001938 | 0.788046 | 0.004775 | null | 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-001113 |
BRD-K44827188-001-06-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.907325 | 4.128134 | 0.045058 | 0.953669 | 0.078152 | 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 | true | ACH-001113 |
BRD-K49328571-001-15-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.769104 | -0.461863 | 0.047921 | 0.933546 | 0.005433 | 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-001113 |
BRD-K49350383-001-14-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.115899 | 3.136145 | -0.001488 | 1 | 0.01974 | null | thioguanine | purine antagonist | IMPDH1, IMPDH2 | hematologic malignancy | acute myeloid leukemia (AML) | Nc1nc2nc[nH]c2c(=S)[nH]1, Nc1nc2nc[nH]c2c(=S)[nH]1, Nc1nc2nc[nH]c2c(=S)[nH]1 | Launched | true | ACH-001113 |
BRD-K50010139-001-01-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.590489 | -0.019279 | -0.0071 | 0.758633 | 11,018,742.550595 | 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-001113 |
BRD-K50168500-001-07-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.748045 | 3.737977 | 0.193349 | 0.781463 | 0.002205 | null | canertinib | EGFR inhibitor | AKT1, EGFR, ERBB2, ERBB4 | null | null | Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl | Phase 3 | true | ACH-001113 |
BRD-K51313569-001-07-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.893496 | -4.726282 | -0.254722 | 0.932887 | 0.276191 | 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-001113 |
BRD-K51791723-003-01-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.151863 | 8.373702 | 0.416467 | 0.870559 | 2.273867 | 2.374327 | 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-001113 |
BRD-K51967704-001-03-6 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.614575 | 0.448133 | 0.069896 | 0.834832 | 0.18746 | null | 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-001113 |
BRD-K52313696-001-12-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.966355 | 0.174846 | 0.002383 | 0.978556 | 0.002578 | 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-001113 |
BRD-K53972329-001-07-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.886994 | -0.210745 | -0.004836 | 0.915152 | 21.986567 | null | ruxolitinib | JAK inhibitor | JAK1, JAK2, JAK3, TYK2 | hematologic malignancy, hematology | myelofibrosis, polycythemia vera | N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 | Launched | true | ACH-001113 |
BRD-K54256913-001-08-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.436869 | 3.832873 | 0.542546 | 0.821999 | 0.465351 | 0.798472 | 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-001113 |
BRD-K54955827-001-02-2 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.929229 | -1.281837 | 0.047762 | 0.956875 | 0.226998 | 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 | true | ACH-001113 |
BRD-K54997624-001-06-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.998348 | -0.034997 | -0.094575 | 0.999154 | 0.318011 | 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-001113 |
BRD-K55187425-236-05-2 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.347412 | 1.637349 | 0.318805 | 1 | 0.682958 | null | 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-001113 |
BRD-K56343971-001-14-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.314088 | 0.284089 | 0.030102 | 1 | 0.050289 | 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-001113 |
BRD-K56981171-001-02-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.475737 | 11.79532 | 0.177125 | 0.964359 | 5.169982 | 6.68185 | 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-001113 |
BRD-K57080016-001-15-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.912125 | -3.158058 | 0.07303 | 0.955583 | 0.082351 | 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-001113 |
BRD-K57169635-001-04-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.449355 | 0.075322 | -0.011683 | 0.735557 | 0.225762 | null | dacomitinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | null | null | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 | Phase 3 | true | ACH-001113 |
BRD-K58435339-001-03-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.117168 | 0.005019 | -0.006295 | 1 | 40,428,196,896,148,660,000,000 | null | 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-001113 |
BRD-K58529924-001-01-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.82753 | -0.102089 | -0.028824 | 0.912206 | 0.118842 | null | ONC201 | AKT inhibitor, MAP kinase inhibitor | TNFSF10 | null | null | Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O | Phase 2 | true | ACH-001113 |
BRD-K59317601-001-05-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.726211 | 2.871766 | 0.245881 | 0.924291 | 0.683316 | null | MLN0128 | mTOR inhibitor | MTOR, PIK3CA, PIK3CD, PIK3CG | null | null | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 | Phase 2 | true | ACH-001113 |
BRD-K59369769-001-22-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.095498 | -2.403487 | -0.010017 | 1 | 24.163952 | null | 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-001113 |
BRD-K60997853-001-02-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.177803 | 6.995751 | 0.584679 | 0.944644 | 5.21059 | 5.54836 | 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-001113 |
BRD-K61192372-001-08-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.748044 | -0.096723 | -0.036362 | 0.839967 | 26.697386 | 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-001113 |
BRD-K62008436-001-23-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.11675 | 0.980911 | 0.064406 | 1 | 0.000813 | null | paclitaxel | tubulin polymerization inhibitor | BCL2, MAP2, MAP4, MAPT, NR1I2, TLR4, TUBB, TUBB1 | oncology | ovarian cancer, breast cancer, non-small cell lung cancer (NSCLC) | CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 | Launched | true | ACH-001113 |
BRD-K62196610-001-01-6 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 2.013748 | 2.201813 | 0.496528 | 1 | 1.263177 | null | AVN-944 | inosine monophosphate dehydrogenase inhibitor | IMPDH1, IMPDH2 | null | null | CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1 | Phase 2 | true | ACH-001113 |
BRD-K62200014-003-10-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.798328 | -0.657125 | -0.092578 | 0.870018 | 0.365712 | 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-001113 |
BRD-K62391742-001-09-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.539675 | 0.077597 | -0.094227 | 0.82769 | 63.241465 | 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-001113 |
BRD-K62627508-001-01-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.728291 | -1.514369 | 0.086464 | 0.956156 | 0.002737 | null | idasanutlin | MDM inhibitor | MDM2, TP53 | null | null | COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O | Phase 3 | true | ACH-001113 |
BRD-K63504947-001-14-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.573556 | 1.811436 | 0.224447 | 1 | 3.78063 | null | semaxanib | VEGFR inhibitor | FGFR1, FLT1, KDR, KIT, PDGFRA, PDGFRB, RET | null | null | Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 | Phase 3 | true | ACH-001113 |
BRD-K63712959-001-01-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.030901 | -0.012255 | -0.021493 | 1 | 2.836933 | null | temoporfin | radical formation stimulant | null | oncology | head and neck squamous cell carcinoma (HNSCC) | Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1[nH]2 | Launched | true | ACH-001113 |
BRD-K64052750-001-22-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.731958 | 4.005549 | 0.256431 | 0.882975 | 0.144517 | null | gefitinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | Launched | true | ACH-001113 |
BRD-K64881305-001-03-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.938369 | -0.213593 | -0.051376 | 0.966125 | 0.215412 | null | ispinesib | kinesin inhibitor | KIF11 | null | null | CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 | Phase 2 | true | ACH-001113 |
BRD-K66175015-001-12-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.810743 | -4.253849 | -0.212619 | 0.861851 | 0.727541 | null | afatinib | EGFR inhibitor | EGFR, ERBB2, ERBB4 | oncology | non-small cell lung cancer (NSCLC) | CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | Launched | true | ACH-001113 |
BRD-K67844266-003-01-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.848922 | 2.28848 | 0.056779 | 0.956561 | 0.614457 | null | pevonedistat | nedd activating enzyme inhibitor | NAE1, UBA3 | null | null | NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12 | Phase 2 | true | ACH-001113 |
BRD-K69694239-001-02-2 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.159759 | 7.008466 | 0.74044 | 0.831398 | 1.426548 | 1.507106 | bardoxolone-methyl | nuclear factor erythroid derived, like (NRF2) activator | PPARG, STAT3 | null | null | COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 | Phase 3 | true | ACH-001113 |
BRD-K69776681-001-03-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.183906 | 0.302229 | 0.089722 | 0.689878 | 0.519113 | 2.36706 | 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-001113 |
BRD-K70301465-001-05-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.765532 | 0.349964 | 0.01631 | 0.927357 | 1.264778 | 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-001113 |
BRD-K70401845-001-15-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.713016 | 0.024968 | -0.006297 | 0.865754 | 13.810244 | 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-001113 |
BRD-K73838513-003-05-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.559702 | 0.099432 | 0.057625 | 0.799971 | 0.511292 | 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-001113 |
BRD-K75009076-001-02-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.231003 | 0.873459 | 0.384405 | 0.839438 | 1.630238 | 3.314948 | 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-001113 |
BRD-K76674262-001-03-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.227683 | 4.657044 | 0.469202 | 0.651422 | 0.125241 | 0.142697 | 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-001113 |
BRD-K76908866-001-07-6 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.271408 | 0.967382 | 0.139418 | 1 | 0.257021 | 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-001113 |
BRD-K77625799-001-07-7 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.740915 | -0.761758 | -0.23978 | 0.829468 | 0.400444 | null | 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-001113 |
BRD-K78431006-001-15-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.025244 | -0.206273 | -0.058574 | 1 | 0.237717 | 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-001113 |
BRD-K79254416-001-21-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.976769 | -0.08954 | -0.057381 | 0.99042 | 0.001408 | 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-001113 |
BRD-K81016934-001-02-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.519101 | -0.244389 | -0.193227 | 0.83924 | 0.00342 | null | INC-280 | c-Met inhibitor | MET | null | null | CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 | Phase 2 | true | ACH-001113 |
BRD-K81418486-001-44-2 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.269913 | 0.510472 | 0.441758 | 0.733568 | 0.377504 | 1.726829 | 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-001113 |
BRD-K81473043-001-19-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 2.459998 | 2.29014 | 0.56875 | 1 | 0.218808 | 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-001113 |
BRD-K82135108-001-04-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.916454 | -3.176127 | -0.032219 | 0.968659 | 0.023248 | null | elesclomol | oxidative stress inducer | HSPA1A | null | null | CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 | Phase 3 | true | ACH-001113 |
BRD-K82746043-001-19-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.508542 | 0.335279 | 0.015417 | 1 | 0.963478 | 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-001113 |
BRD-K82818427-001-04-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.168099 | -0.550922 | -0.044136 | 0.968231 | 0.000042 | 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-001113 |
BRD-K83029223-001-01-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.761866 | -0.642363 | 0.055672 | 1 | 0.000113 | 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-001113 |
BRD-K83988098-001-02-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.563355 | -0.619325 | -0.020573 | 0.887681 | 0.00008 | 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-001113 |
BRD-K85402309-043-01-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.841578 | 0.005602 | -0.043517 | 0.942229 | 868,542,753,624,920,400,000,000,000,000,000,000,000,000 | 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-001113 |
BRD-K85606544-001-09-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.556591 | -0.224344 | 0.008278 | 0.770689 | 0.10925 | 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-001113 |
BRD-K86972824-001-01-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.88747 | -6.52567 | 0.097966 | 0.895191 | 5.148643 | null | oltipraz | nuclear factor erythroid derived, like (NRF2) activator | ANG | null | null | Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1 | Phase 3 | true | ACH-001113 |
BRD-K87737963-001-06-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.816824 | -0.977744 | 0.050073 | 0.930828 | 0.023206 | 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-001113 |
BRD-K87782578-001-01-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.847882 | -7.700943 | 0.039099 | 0.859884 | 4.651707 | 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-001113 |
BRD-K87909389-003-03-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.191934 | 4.445164 | 0.740936 | 0.834034 | 0.452904 | 0.505037 | 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-001113 |
BRD-K88510285-001-17-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.036474 | 0.589413 | 0.660142 | 0.556074 | 0.029998 | 0.034112 | 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-001113 |
BRD-K89014967-001-04-3 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.377451 | 0.69006 | 0.425535 | 1 | 0.145452 | null | AS-703026 | MEK inhibitor | MAP2K1, MAP2K2 | null | null | OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F | Phase 2 | true | ACH-001113 |
BRD-K92441787-001-04-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.855802 | -0.825542 | 0.111036 | 0.928459 | 0.075118 | 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-001113 |
BRD-K92723993-001-17-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.877363 | -0.061085 | -0.015814 | 0.932811 | 1.853836 | 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-001113 |
BRD-K95142244-001-01-5 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.798442 | -0.216511 | -0.001431 | 0.879539 | 0.571566 | 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-001113 |
BRD-K96123349-236-02-8 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 1.739675 | 2.744012 | 0.570119 | 1 | 0.684884 | null | brequinar | dihydroorotate dehydrogenase inhibitor | DHODH | null | null | Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F | Phase 2 | true | ACH-001113 |
BRD-K98572433-001-02-9 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.676997 | 3.431941 | 0.264159 | 0.781751 | 0.014197 | null | AZD8931 | EGFR inhibitor | EGFR, ERBB2, ERBB3 | null | null | CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC | Phase 2 | true | ACH-001113 |
BRD-K99113996-001-02-0 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.899779 | -3.025374 | -0.028767 | 0.945356 | 0.121148 | 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-001113 |
BRD-K99616396-001-05-1 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.719258 | 0.109106 | -0.119288 | 0.827964 | 0.001056 | 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-001113 |
BRD-M97302542-001-04-4 | ACH-001113 | LC1SQSF_LUNG | MTS010 | 1 | 0.857502 | 2.078445 | 0.230096 | 0.96582 | 0.978876 | 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-001113 |
BRD-A25234499-001-19-1 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 1.545769 | 0.560594 | 0.146922 | 1 | 0.093847 | null | aminoglutethimide | glucocorticoid receptor antagonist | CYP11A1, CYP19A1 | endocrinology, oncology | Cushing's syndrome, breast cancer | CCC1(CCC(=O)NC1=O)c1ccc(N)cc1, CCC1(CCC(=O)NC1=O)c1ccc(N)cc1, CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 | Launched | true | ACH-001128 |
BRD-A74914197-001-02-9 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.176545 | 3.932501 | 0.710325 | 0.472536 | 0.001247 | 0.001393 | 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-001128 |
BRD-K02113016-001-19-6 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.455496 | -0.607383 | 0.072731 | 0.703786 | 0.125592 | 0.00234 | 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-001128 |
BRD-K03449891-001-08-6 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.065692 | 0.568015 | 0.844098 | 0.458079 | 0.017397 | 0.022293 | 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-001128 |
BRD-K05804044-001-18-5 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.029265 | 0.868454 | 0.602306 | 0.632879 | 0.265757 | 0.28487 | 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-001128 |
BRD-K08542803-001-02-3 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.00961 | 0.611165 | 0.394639 | 0.501082 | 0.075007 | 0.077427 | 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-001128 |
BRD-K11267252-001-05-1 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.629779 | 3.91253 | -0.081178 | 0.891545 | 0.58255 | 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-001128 |
BRD-K11630072-001-13-2 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.126521 | 3.946933 | 0.411224 | 0.828372 | 1.48568 | 1.599626 | 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-001128 |
BRD-K12184916-001-19-6 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.256069 | 2.520692 | 0.589373 | 0.45775 | 0.008243 | 0.010959 | 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-001128 |
BRD-K12343256-001-14-7 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.124463 | 8.036173 | 0.625295 | 0.452838 | 0.023231 | 0.024073 | 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-001128 |
BRD-K13390322-001-06-3 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.12752 | 4.367048 | 0.70354 | 0.700013 | 0.355515 | 0.380304 | 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-001128 |
BRD-K13514097-001-04-6 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.093603 | 0.196726 | -0.134734 | 0.491145 | 0.020283 | 0.058174 | 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-001128 |
BRD-K13662825-001-07-5 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.088753 | 1.054402 | 0.617459 | 0.444589 | 0.006654 | 0.008009 | dinaciclib | CDK inhibitor | CDK1, CDK2, CDK5, CDK9 | null | null | CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO | Phase 3 | true | ACH-001128 |
BRD-K14109347-001-03-4 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.791736 | 0.002139 | -0.078764 | 0.89637 | 7.056566 | 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 | true | ACH-001128 |
BRD-K15179879-001-03-2 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.138455 | 3.363939 | 0.800211 | 0.399339 | 0.011523 | 0.012689 | 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-001128 |
BRD-K15600710-066-05-8 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.12042 | 3.275266 | 0.73499 | 0.663613 | 0.23999 | 0.261057 | 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-001128 |
BRD-K16730910-001-10-7 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.154878 | 0.315003 | 0.211382 | 0.619793 | 0.166639 | 0.540599 | 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-001128 |
BRD-K17743125-001-08-4 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.287855 | 1.870476 | 0.914552 | 0.771684 | 0.446124 | 0.705521 | 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-001128 |
BRD-K19540840-001-09-4 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.726223 | -3.248604 | -0.205813 | 0.829317 | 0.258774 | null | saracatinib | src inhibitor | ABL1, LCK, SRC, YES1 | null | null | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 | Phase 2/Phase 3 | true | ACH-001128 |
BRD-K19796430-001-05-6 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | -0.651395 | 0.049804 | -0.102843 | 0.725314 | 10,099,909,323,580.031 | 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-001128 |
BRD-K22064724-001-01-8 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.070746 | 3.408863 | 0.523782 | 0.544016 | 0.08548 | 0.089392 | 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-001128 |
BRD-K23228615-001-02-8 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | -0.000266 | 0.346093 | 0.605426 | 0.463284 | 0.046508 | 0.046437 | 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-001128 |
BRD-K26026438-001-01-0 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.386211 | -0.57022 | -0.236505 | 0.838996 | 0.005019 | null | tucatinib | EGFR inhibitor | ERBB2 | null | null | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 | Phase 2 | true | ACH-001128 |
BRD-K26657438-001-15-2 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 1.45093 | 0.256938 | -0.301753 | 1 | 0.53004 | 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-001128 |
BRD-K30577245-001-05-0 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.088685 | 0.007145 | -0.025889 | 0.54174 | 0.000986 | null | docetaxel | tubulin polymerization inhibitor | BCL2, MAP2, MAP4, MAPT, NR1I2, TUBB, TUBB1 | oncology | breast cancer, non-small cell lung cancer (NSCLC), prostate cancer, gastric adenocarcinoma, head and neck squamous cell carcinoma (HNSCC) | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C, CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C | Launched | true | ACH-001128 |
BRD-K31698212-001-02-9 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.729336 | -0.04386 | -0.31933 | 0.779813 | 33,478,043,974,208.34 | null | icotinib | EGFR inhibitor | EGFR | oncology | non-small cell lung cancer (NSCLC) | C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 | Launched | true | ACH-001128 |
BRD-K33379087-001-07-5 | ACH-001128 | MON_SOFT_TISSUE | MTS010 | 1 | 0.316725 | 6.05491 | 0.337457 | 0.832281 | 0.923537 | 1.090056 | tivantinib | tyrosine kinase inhibitor | MET | null | null | O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 | Phase 3 | true | ACH-001128 |
Subsets and Splits