Molecule Details
| InChIKey | IEHBGAHJQRMSCS-VABKMULXSA-N |
|---|---|
| Compound Name | (2S,5S,8S)-2-butyl-5-[4-(ethanethioylamino)butyl]-3,6,14,21-tetraoxo-1,4,7,13-tetrazacyclohenicosane-8-carboxamide |
| Canonical SMILES | CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(C)=S)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile