Molecule Details
| InChIKey | LXBIFEVIBLOUGU-JGWLITMVSA-N |
|---|---|
| Compound Name | Deoxynojirimycin |
| Canonical SMILES | OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.77 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03206 |
|---|---|
| Drug Name | Duvoglustat |
| CAS Number | 19130-96-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | An alpha-glucosidase inhibitor with antiviral action. Derivatives of deoxynojirimycin may have anti-HIV activity. |
Categories: Alkaloids Amino Sugars Anti-Infective Agents Carbohydrates Enzyme Inhibitors Hexosamines Imines Imino Pyranoses Imino Sugars Piperidines
Cross-references: BindingDB: 18351 ChEBI: 44369 CHEMBL307429 ChemSpider: 27360 C16843 D09605 PDB: NOJ PubChem:29435 PubChem:46507744 Wikipedia: 1-Deoxynojirimycin ZINC: ZINC000003794714
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q14697 | GANAB | Homo sapiens | Human | PF13802 PF01055 PF21365 | 7.3 | Ki | ChEMBL;BindingDB |
| P10253 | GAA | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 7.0 | IC50 | ChEMBL;BindingDB |
| O43451 | MGAM | Homo sapiens | Human | PF13802 PF01055 PF21365 PF00088 | 6.9 | IC50 | ChEMBL;BindingDB |
| P28300 | LOX | Homo sapiens | Human | PF01186 | 6.0 | IC50 | BindingDB |
| P9WQ18 | treS | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00128 PF16657 | 6.6 | Ki | BindingDB |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05618 | P05618 | Cyclomaltodextrin glucanotransferase | binder | targets |
| P12070 | P12070 | Xylose isomerase | binder | targets |
| P31723 | P31723 | Mannosyl-oligosaccharide alpha-1,2-mannosidase | binder | targets |
| Q08638 | Q08638 | Beta-glucosidase A | binder | targets |
| Q9UKM7 | Q9UKM7 | Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase | binder | targets |
| O43451 | MGAM | Maltase-glucoamylase | inhibitor | targets |
| P10253 | GAA | Lysosomal alpha-glucosidase | inhibitor | targets |
| Q14697 | GANAB | Neutral alpha-glucosidase AB | inhibitor | targets |
| Q8TET4 | Q8TET4 | Neutral alpha-glucosidase C | inhibitor | targets |