Molecule Details
| InChIKey | NVQVBMCNJWRJDK-RNNVGSBUSA-N |
|---|---|
| Compound Name | (3R,5S,8S)-8-cyclopentyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-13,23-diethoxy-19-methoxy-7,10-dioxo-2-oxa-6,9,11,22-tetrazapentacyclo[16.6.2.13,6.111,13.021,25]octacosa-1(24),18(26),19,21(25),22-pentaene-5-carboxamide |
| Canonical SMILES | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)N1CC(OCC)(CCCCc3cc4c(cc(OCC)nc4cc3OC)O2)C1)C(=O)NS(=O)(=O)C1CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.75 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile