Molecule Details
| InChIKey | YKGCZJXHFVVNSC-FTJBHMTQSA-N |
|---|---|
| Compound Name | 3-[[(2R)-2-cyano-2-[[(2S)-2-(3-methoxycarbonylanilino)-3-(3-methylphenyl)propanoyl]amino]ethoxy]methyl]benzoic acid |
| Canonical SMILES | COC(=O)c1cccc(N[C@@H](Cc2cccc(C)c2)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile