Molecule Details
| InChIKey | AXIVWWPYPSYJLD-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-1-methyl-2-oxo-5-(4-trifluoromethoxy-phenyl)-1,2-dihydro-pyridine-3-carbonitrile |
| Canonical SMILES | Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.2 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49354 | FNTA | Homo sapiens | Human | PF01239 | 9.1 | pIC50 | TTD_MultiTarget |
| P49356 | FNTB | Homo sapiens | Human | PF00432 | 9.1 | IC50 | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Ki | ChEMBL |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.2 | Ki | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.1 | Ki | ChEMBL |