Molecule Details
| InChIKey | HWIQIPSEESTSSO-GBZMLJNNSA-N |
|---|---|
| Compound Name | (E)-N-[(2R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enamide |
| Canonical SMILES | COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)C(=O)OC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.58 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile