Molecule Details
| InChIKey | QMJFSSNSVVHFPD-IXPVHAAZSA-N |
|---|---|
| Compound Name | (2R,3R,4S)-2-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol |
| Canonical SMILES | O[C@@H]1[C@H](O)CS[C@H]1n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P37231 | PPARG | Homo sapiens | Human | PF00104 PF12577 PF00105 | 8.5 | Ki | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| Q03181 | PPARD | Homo sapiens | Human | PF00104 PF00105 | 8.0 | Ki | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |