Molecule Details
| InChIKey | DPJAKAHREXIEPH-WRZPEWOESA-N |
|---|---|
| Compound Name | (4S)-5-[[(3S,11S,17S,20S,23R,26S,28S)-3-[[(2S)-2-acetamidohexanoyl]amino]-11-carbamoyl-20-[3-(diaminomethylideneamino)propyl]-17-(1H-indol-3-ylmethyl)-23-(naphthalen-2-ylmethyl)-2,5,13,16,19,22,25-heptaoxo-1,6,12,15,18,21,24-heptazabicyclo[24.3.0]nonacosan-28-yl]amino]-4-amino-5-oxopentanoic acid |
| Canonical SMILES | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=O)[C@@H](N)CCC(=O)O)CN2C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.83 |
| Source | ChEMBL |
2D Structure
Activity Profile