Molecule Details
| InChIKey | PUJFXPWIBOJQHB-OAHLLOKOSA-N |
|---|---|
| Compound Name | 1-((2-(7-fluoro-3-methylquinoxalin-2-yl)-5-((3R)-3-fluoropyrrolidin-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)-2-methylpropan-2-ol |
| Canonical SMILES | Cc1nc2ccc(F)cc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y233 | PDE10A | Homo sapiens | Human | PF01590 PF00233 | 10.2 | IC50 | ChEMBL;BindingDB |
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 6.5 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 6.5 | IC50 | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 6.5 | IC50 | ChEMBL |
| O76074 | PDE5A | Homo sapiens | Human | PF01590 PF00233 | 6.4 | IC50 | ChEMBL;BindingDB |
| O43924 | PDE6D | Homo sapiens | Human | PF05351 | 6.2 | IC50 | ChEMBL |
| P16499 | PDE6A | Homo sapiens | Human | PF01590 PF00233 | 6.2 | IC50 | ChEMBL |
| P18545 | PDE6G | Homo sapiens | Human | PF04868 | 6.2 | IC50 | ChEMBL |
| P35913 | PDE6B | Homo sapiens | Human | PF01590 PF00233 | 6.2 | IC50 | ChEMBL |
| P51160 | PDE6C | Homo sapiens | Human | PF01590 PF00233 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q13956 | PDE6H | Homo sapiens | Human | PF04868 | 6.2 | IC50 | ChEMBL |