Molecule Details
| InChIKey | MKQRMAQXDANGMN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-benzyl-3-ethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one |
| Canonical SMILES | CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.7 | pIC50 | TTD_MultiTarget |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.1 | pIC50 | TTD_MultiTarget |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.1 | pIC50 | TTD_MultiTarget |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |