Molecule Details
| InChIKey | QMLOEDCWTHEZJY-DENIHFKCSA-N |
|---|---|
| Compound Name | (4aR,8aS)-2-cyclopentyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-1H-phthalazine |
| Canonical SMILES | COc1ccc(C2=NN(C3CCCC3)C[C@H]3CC=CC[C@@H]23)cc1OC1CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 8.0 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 8.0 | IC50 | ChEMBL |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 8.0 | IC50 | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 8.0 | IC50 | ChEMBL |
| Q8WQX9 | PDEB1 | Trypanosoma brucei | Pathogen | PF01590 PF00233 | 6.6 | IC50 | ChEMBL;BindingDB |