Molecule Details
| InChIKey | VLKCAQJYGYQIJK-QHCPKHFHSA-N |
|---|---|
| Compound Name | 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]-2-pyridinyl]-5-(pyridin-3-ylmethoxy)isoquinolin-1-one |
| Canonical SMILES | COc1cc2c(cc1OC)C(c1ccnc(-n3ccc4c(OCc5cccnc5)cccc4c3=O)c1)=N[C@H](CO)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.11 |
| 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 | 9.1 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 9.1 | IC50 | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 9.1 | IC50 | ChEMBL |