Molecule Details
| InChIKey | OUPVCASXISVAPH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-Benzyl-3-methyl-8-nitropurine-2,6-dione |
| Canonical SMILES | Cn1c(=O)[nH]c(=O)c2c1nc([N+](=O)[O-])n2Cc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.11 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9HC29 | NOD2 | Homo sapiens | Human | PF00619 PF13516 PF05729 PF17776 PF17779 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q9HC97 | GPR35 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | BindingDB |
| Q9Y239 | NOD1 | Homo sapiens | Human | PF00619 PF13516 PF05729 PF17776 PF17779 | 6.1 | IC50 | ChEMBL;BindingDB |