Molecule Details
| InChIKey | JWAHBXONODWUEH-CTWZREHQSA-N |
|---|---|
| Compound Name | (S)-3-{(1S,3R)-3-[4-(2-Cyano-phenyl)-piperidin-1-yl]-cyclopentylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester |
| Canonical SMILES | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile