Molecule Details
| InChIKey | CNIBHFMXGCXGHJ-SJORKVTESA-N |
|---|---|
| Compound Name | (3R,5S)-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3,5-dihydro-2H-pyrido[3,4-e][1,4]diazepine-4-carboxamide |
| Canonical SMILES | COc1ccc(CNC(=O)N2[C@H](C)CN(Cc3ccc(C(F)(F)F)o3)c3cnccc3[C@@H]2C)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile