Molecule Details
| InChIKey | DIWJBUBBVDFSOS-IEOYPHPUSA-N |
|---|---|
| Compound Name | (3S,11S,17S,20S,23R,26S,28R)-3-(2-acetamidohexanoylamino)-28-[4-(2-aminopropan-2-yl)triazol-1-yl]-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]nonacosane-11-carboxamide |
| Canonical SMILES | CCCCC(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](n3cc(C(C)(C)N)nn3)CN2C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.11 |
| Source | ChEMBL |
2D Structure
Activity Profile