Molecule Details
| InChIKey | VSNJCPXJAHKLRS-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine |
| Canonical SMILES | COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.5 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.6 | Ki | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 8.1 | Ki | ChEMBL;BindingDB |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 7.4 | Ki | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.2 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.2 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.2 | pIC50 | TTD_MultiTarget |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL;BindingDB |