Molecule Details
| InChIKey | IBHJUUGEQZOQPH-DHIHPGSNSA-N |
|---|---|
| Compound Name | tert-butyl N-[(2S)-1-[(2'S,3R)-2'-[[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamoyl]-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1'-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate |
| Canonical SMILES | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@]2(CCc3c(c(C)nc4ccccc34)O2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 10.01 |
| Source | ChEMBL |
2D Structure
Activity Profile