Molecule Details
| InChIKey | PVJGDYDNVNCGBT-XSMNFLGNSA-N |
|---|---|
| Compound Name | (2R,3R,4S,5S)-2-[6-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol |
| Canonical SMILES | O[C@@H]1[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@@H]3C4)ncnc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.06 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.4 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.3 | Ki | ChEMBL;BindingDB |