Molecule Details
| InChIKey | QGJJPEJOSVXUMF-JWZNTPTQSA-N |
|---|---|
| Compound Name | (2R,4aR,5S,8aR)-5-[(E)-2-(4-carboxyphenyl)prop-1-enyl]-7-methyl-2-[2-(4-pyridin-3-yloxybenzoyl)oxyethyl]-2,5,8,8a-tetrahydro-1H-naphthalene-4a-carboxylic acid |
| Canonical SMILES | CC1=C[C@@H](/C=C(\C)c2ccc(C(=O)O)cc2)[C@]2(C(=O)O)C=C[C@@H](CCOC(=O)c3ccc(Oc4cccnc4)cc3)C[C@@H]2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile