Molecule Details
| InChIKey | NMGSQEBMRHQDOG-DZGCQCFKSA-N |
|---|---|
| Compound Name | (4aS,8aR)-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one |
| Canonical SMILES | COc1ccc(C2=NNC(=O)[C@@H]3CC=CC[C@H]23)c2c1OC1(CCCC1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.5 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 8.5 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 8.5 | IC50 | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 8.5 | IC50 | ChEMBL |