Molecule Details
| InChIKey | DENIPLMYQYHPPA-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine |
| Canonical SMILES | O=[N+]([O-])c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.01 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 9.5 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 9.5 | pIC50 | TTD_MultiTarget |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| P11166 | SLC2A1 | Homo sapiens | Human | PF00083 | 6.7 | IC50 | ChEMBL |
| O61059 | LmGT2 | Leishmania mexicana | Pathogen | PF00083 | 6.9 | IC50 | ChEMBL |
| O97467 | ht1 | Plasmodium falciparum | Pathogen | PF00083 | 6.8 | IC50 | ChEMBL |