Molecule Details
| InChIKey | YAZFJAWMJDOHDF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-Butyl-3-(1-cyclopropylcyclopropyl)-11-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one |
| Canonical SMILES | CCCCn1c(=O)c2nnc(C3(C4CC4)CC3)n2c2ncc(CC)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.66 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P54750 | PDE1A | Homo sapiens | Human | PF00233 PF08499 | 9.7 | IC50 | ChEMBL;BindingDB |
| Q14123 | PDE1C | Homo sapiens | Human | PF00233 PF08499 | 9.4 | IC50 | ChEMBL;BindingDB |
| Q01064 | PDE1B | Homo sapiens | Human | PF00233 PF08499 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 6.2 | IC50 | ChEMBL;BindingDB |
| P16499 | PDE6A | Homo sapiens | Human | PF01590 PF00233 | 6.0 | IC50 | ChEMBL;BindingDB |
| P35913 | PDE6B | Homo sapiens | Human | PF01590 PF00233 | 6.0 | IC50 | ChEMBL |