Molecule Details
| InChIKey | RORWDTCBTBGWNA-HNNXBMFYSA-N |
|---|---|
| Compound Name | 1-[(1S)-6-chloro-2,3-dihydro-1H-inden-1-yl]-5,6-dimethoxyisoquinoline |
| Canonical SMILES | COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)nccc2c1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.31 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P54750 | PDE1A | Homo sapiens | Human | PF00233 PF08499 | 8.7 | IC50 | ChEMBL |
| Q01064 | PDE1B | Homo sapiens | Human | PF00233 PF08499 | 8.6 | IC50 | ChEMBL |
| Q14123 | PDE1C | Homo sapiens | Human | PF00233 PF08499 | 8.2 | IC50 | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL |
| Q9Y233 | PDE10A | Homo sapiens | Human | PF01590 PF00233 | 6.6 | IC50 | ChEMBL |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 6.4 | IC50 | ChEMBL |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL |