Molecule Details
| InChIKey | SIECIRCONJTJAI-SASJIJFGSA-N |
|---|---|
| Compound Name | methyl 6-[6-[(3-chlorophenyl)methylamino]-9-[(1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)-2-bicyclo[3.1.0]hexanyl]purin-2-yl]hex-5-ynoate |
| Canonical SMILES | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)OC)nc31)[C@H](O)[C@@H]2O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile