Molecule Details
| InChIKey | HEKAIDKUDLCBRU-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tak-715 |
| Canonical SMILES | CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16108 |
|---|---|
| Drug Name | TAK-715 |
| CAS Number | 303162-79-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | TAK-715 is under investigation in clinical trial NCT00760864 (Safety and Efficacy of TAK-715 in Subjects With Rheumatoid Arthritis). |
Categories: Acids, Carbocyclic Amides Benzene Derivatives Benzoates Sulfur Compounds Tumor Necrosis Factor Blockers
Cross-references: BindingDB: 50173609 ChEBI: 91360 CHEMBL363648 ChemSpider: 8128383 PDB: T75 ZINC: ZINC000006717791
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 7.6 | Ki | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | Ki | ChEMBL |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.7 | Ki | ChEMBL |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.7 | Ki | ChEMBL |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| O15264 | MAPK13 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Ki | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.4 | Ki | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | Ki | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.3 | Ki | ChEMBL |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Ki | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.1 | Ki | ChEMBL |
| Q9NYL2 | MAP3K20 | Homo sapiens | Human | PF07714 PF07647 | 6.1 | Ki | ChEMBL |