Molecule Details
| InChIKey | MSXJZHUTIDWQBZ-ROUUACIJSA-N |
|---|---|
| Compound Name | (S)-1-(4-Chloro-phenyl)-2-((S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-yl)-ethanol |
| Canonical SMILES | COc1cc2c(cc1OC)[C@H](C[C@H](O)c1ccc(Cl)cc1)N(C)CC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.31 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.4 | IC50 | ChEMBL;BindingDB |
| O15399 | GRIN2D | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.3 | IC50 | ChEMBL |
| O60391 | GRIN3B | Homo sapiens | Human | PF00060 PF10613 | 6.3 | IC50 | ChEMBL |
| Q05586 | GRIN1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.3 | IC50 | ChEMBL |
| Q12879 | GRIN2A | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.3 | IC50 | ChEMBL |
| Q13224 | GRIN2B | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.3 | IC50 | ChEMBL |
| Q14957 | GRIN2C | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.3 | IC50 | ChEMBL |
| Q8TCU5 | GRIN3A | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.3 | IC50 | ChEMBL |