Molecule Details
| InChIKey | XUFXOAAUWZOOIT-UGEKTDRHSA-N |
|---|---|
| Compound Name | (3R,4R,5S,6R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)oxan-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-6-(hydroxymethyl)oxane-2,3,4-triol |
| Canonical SMILES | C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.35 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43451 | MGAM | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 6.4 | IC50 | ChEMBL |
| P10253 | GAA | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 6.4 | Ki | ChEMBL |
| P14410 | SI | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 6.4 | Ki | ChEMBL |
| Q2M2H8 | MGAM2 | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 6.4 | Ki | ChEMBL |
| P0DUB6 | AMY1A | Homo sapiens | Human | PF00128 PF02806 | 6.3 | IC50 | ChEMBL;BindingDB |