Molecule Details
| InChIKey | WKDACQVEJIVHMZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tak-901 |
| Canonical SMILES | CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 46 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.73 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12756 |
|---|---|
| Drug Name | TAK-901 |
| CAS Number | 934541-31-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | TAK-901 has been used in trials studying the treatment of Lymphoma, Myelofibrosis, Multiple Myeloma, Myeloid Metaplasia, and Advanced Solid Tumors, among others. |
Categories: Heterocyclic Compounds, Fused-Ring Indole Alkaloids Indoles Protein Kinase Inhibitors Pyridines Sulfur Compounds
Cross-references: BindingDB: 209861 CHEMBL3544932 ChemSpider: 17281108 PubChem:16124208 PubChem:347828943 ZINC: ZINC000035310420
Target Activities (46)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9NQS7 | INCENP | Homo sapiens | Human | PF03941 PF12178 | 9.3 | IC50 | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9ULW0 | TPX2 | Homo sapiens | Human | PF09041 PF06886 PF12214 | 7.7 | IC50 | ChEMBL |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.7 | Kd | ChEMBL |
| P54764 | EPHA4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF07647 | 7.7 | Kd | ChEMBL |
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 7.6 | Kd | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 7.4 | Kd | ChEMBL |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | Kd | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | Kd | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | Kd | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.0 | Kd | ChEMBL |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 6.9 | Kd | ChEMBL |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 6.9 | Kd | ChEMBL |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | Kd | ChEMBL |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.8 | Kd | ChEMBL;BindingDB |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | Kd | ChEMBL |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.7 | Kd | ChEMBL |
| P36897 | TGFBR1 | Homo sapiens | Human | PF01064 PF00069 PF08515 | 6.7 | Kd | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | Kd | ChEMBL |
| P18074 | ERCC2 | Homo sapiens | Human | PF06733 PF06777 PF13307 | 6.6 | Kd | ChEMBL |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.6 | Kd | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.6 | Kd | ChEMBL |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.5 | Kd | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL |
| P54619 | PRKAG1 | Homo sapiens | Human | PF00571 | 6.5 | Kd | ChEMBL |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.4 | Kd | ChEMBL |
| O15197 | EPHB6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 6.3 | Kd | ChEMBL |
| P54756 | EPHA5 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.3 | Kd | ChEMBL |
| Q9UGJ0 | PRKAG2 | Homo sapiens | Human | PF00571 | 6.3 | Kd | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.3 | Kd | ChEMBL |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 6.2 | Kd | ChEMBL |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.2 | Kd | ChEMBL |
| Q15375 | EPHA7 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.2 | Kd | ChEMBL |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.2 | Kd | ChEMBL |
| P29323 | EPHB2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.2 | Kd | ChEMBL |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 6.2 | Kd | ChEMBL |
| Q9H093 | NUAK2 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.1 | Kd | ChEMBL |
| Q9UK32 | RPS6KA6 | Homo sapiens | Human | PF00069 PF00433 | 6.0 | Kd | ChEMBL |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 6.0 | Kd | ChEMBL |