Molecule Details
| InChIKey | ZIJYBRHNQICJRS-WVGFPPCDSA-N |
|---|---|
| Compound Name | [(1S,2S,3R,11S,12S,14R,15R,18R,20S)-18-(2-fluorophenyl)-3-hydroxy-1,11,15-trimethyl-5-oxo-7-pyridin-3-yl-6,10,17,19-tetraoxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-dien-12-yl] 4-cyanobenzoate |
| Canonical SMILES | C[C@@]12CO[C@@H](c3ccccc3F)O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(C#N)cc2)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.33 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile