Molecule Details
| InChIKey | XVBWTZHNQZHFHR-QGZVFWFLSA-N |
|---|---|
| Compound Name | Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dihydro-6,6-dimethyl-, (1S)-2-(dimethylamino)-1-phenylethyl ester |
| Canonical SMILES | CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)n[nH]c2C1(C)C)c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 7.1 | Ki | ChEMBL |
| Q9P0L2 | MARK1 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.9 | IC50 | ChEMBL;BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |