Molecule Details
| InChIKey | UYNVMODNBIQBMV-IIBYNOLFSA-N |
|---|---|
| Compound Name | 4-((1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol |
| Canonical SMILES | C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 8.7 | Ki | ChEMBL;BindingDB |
| Q15125 | EBP | Homo sapiens | Human | PF05241 | 8.3 | Ki | ChEMBL;BindingDB |
| Q13224 | GRIN2B | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 8.0 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.3 | IC50 | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P32352 | ERG2 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF04622 | 9.0 | Ki | ChEMBL;BindingDB |