Molecule Details
| InChIKey | IRJPOPFHQWLPAK-YLVFOWHESA-N |
|---|---|
| Compound Name | (5R,8S)-7-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]hexanoyl]amino]butanoyl]-N-[(1R,2S)-2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide |
| Canonical SMILES | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnc(C)cn1)C(C)CCC)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.85 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile