Molecule Details
| InChIKey | XROLQKSRXCUQAD-QCUYGVNKSA-N |
|---|---|
| Compound Name | 9-(5''-Ethylaminocarbonyl-4-thio-beta-D-ribofuranosyl)-N6-(3-iodo-benzyl)adenine |
| Canonical SMILES | CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.35 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 9.4 | Ki | ChEMBL;BindingDB |
| Q03181 | PPARD | Homo sapiens | Human | PF00104 PF00105 | 8.5 | Ki | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |