Molecule Details
| InChIKey | JWYVFZRNNGAAIG-UEQSERJNSA-N |
|---|---|
| Compound Name | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol |
| Canonical SMILES | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(-c2ccccc2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.26 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9HCG7 | GBA2 | Homo sapiens | Human | PF04685 PF12215 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q16739 | UGCG | Homo sapiens | Human | PF13506 | 7.1 | IC50 | ChEMBL;BindingDB |
| P14410 | SI | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 6.7 | IC50 | ChEMBL;BindingDB |
| P04062 | GBA1 | Homo sapiens | Human | PF02055 PF17189 | 6.5 | IC50 | ChEMBL;BindingDB |