Molecule Details
| InChIKey | JTGBYRRUQUQVJF-UFADHCMUSA-N |
|---|---|
| Compound Name | (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[5-[2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]ethylamino]pentyl]-4a,5,8,8a-tetrahydrophthalazin-1-one |
| Canonical SMILES | COc1ccc(F)cc1CCC1CCC(CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.07 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 8.7 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.9 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 6.7 | Ki | ChEMBL |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.0 | IC50 | ChEMBL |