Molecule Details
| InChIKey | GZKUIKKDBXPCIY-HNNXBMFYSA-N |
|---|---|
| Compound Name | N-butyl-3-[(2S)-2-(naphthalen-2-yl)propanamido]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide |
| Canonical SMILES | CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.89 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.4 | pIC50 | TTD_MultiTarget |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.4 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.4 | pIC50 | TTD_MultiTarget |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.4 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 6.8 | IC50 | ChEMBL;BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.1 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.1 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.1 | IC50 | ChEMBL |