Molecule Details
| InChIKey | YUDPTGPSBJVHCN-YMILTQATSA-N |
|---|---|
| Compound Name | 4-Methylumbelliferyl beta-D-glucopyranoside |
| Canonical SMILES | Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.48 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13177 |
|---|---|
| Drug Name | 4-methylumbelliferyl beta-D-glucoside |
| CAS Number | 18997-57-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Benzopyrans Carbohydrates Coumarins Glycosides Heterocyclic Compounds, Fused-Ring Pyrans Umbelliferones
Cross-references: BindingDB: 18352 ChEBI: 91117 CHEMBL1441570 ChemSpider: 2015550 ZINC: ZINC000004073899
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | pIC50 | TTD_MultiTarget |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.0 | Ki | ChEMBL;BindingDB |