Molecule Details
| InChIKey | KWBYYFKCXHSTPA-OUZQGACWSA-N |
|---|---|
| Compound Name | (2S,5S,8S,11S,14S,17S)-2-[[(2S)-2-(1-aminoethylideneamino)hexanoyl]amino]-8-benzyl-11-[3-(diaminomethylideneamino)propyl]-5-(1H-imidazol-5-ylmethyl)-14-(1H-indol-3-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13,16-hexazacyclohenicosane-17-carboxamide |
| Canonical SMILES | CCCC[C@H](NC(C)=N)C(=O)N[C@@H]1NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.69 |
| Source | ChEMBL |
2D Structure
Activity Profile