Molecule Details
| InChIKey | CWIFGWDXAMILHS-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[5-(2-methylpropanoyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Canonical SMILES | CC(C)C(=O)N1Cc2n[nH]c(NC(=O)c3ccc4c(c3)OCO4)c2C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.48 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.4 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.4 | pIC50 | TTD_MultiTarget |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.4 | IC50 | ChEMBL |