Molecule Details
| InChIKey | OXYIGALIVPCFGR-BOJPUYJCSA-N |
|---|---|
| Compound Name | (5R,8S)-N-[(1R,2S)-2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[(2S)-2-[[(2S)-2-[[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-2-(oxan-4-yl)acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-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)[C@@H]1CCCN1CC)C1CCOCC1)C1(C)CCOCC1)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 | 8.22 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile