Molecule Details
| InChIKey | LPLVUJXQOOQHMX-QWBHMCJMSA-N |
|---|---|
| Compound Name | Glycyrrhizin |
| Canonical SMILES | CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13751 |
|---|---|
| Drug Name | Glycyrrhizic acid |
| CAS Number | 1405-86-3 |
| Groups | approved investigational |
| ATC Codes | A05BA08 |
| Description | Glycyrrhizic acid is extracted from the root of the licorice plant; _Glycyrrhiza glabra_.[F79] It is a triterpene glycoside with glycyrrhetinic acid that possesses a wide range of pharmacological and biological activities. When extracted from the plant, it can be obtained in the form of ammonium gly... |
Categories: Alimentary Tract and Metabolism Anti-Inflammatory Agents BSEP/ABCB11 Substrates Bile and Liver Therapy Liver Therapy Liver Therapy, Lipotropics Pentacyclic Triterpenes Terpenes Triterpenes
Cross-references: BindingDB: 50185127 ChEBI: 15939 CHEMBL441687 ChemSpider: 14263 Drugs Product Database (DPD): 659 C02284 D00157 RxCUI: 26143 Wikipedia: Glycyrrhizin ZINC: ZINC000096015174
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P17516 | AKR1C4 | Aldo-keto reductase family 1 member C4 | substrate | carriers |
| P42330 | AKR1C3 | Aldo-keto reductase family 1 member C3 | substrate | carriers |
| P52895 | AKR1C2 | Aldo-keto reductase family 1 member C2 | substrate | carriers |
| P01375 | TNF | Tumor necrosis factor | antagonist | targets |
| P28845 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | antagonist | targets |
| P42574 | CASP3 | Caspase-3 | antagonist | targets |
| P06858 | LPL | Lipoprotein lipase | inducer | targets |
| P28845 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | inhibitor | targets |
| Q00653 | NFKB2 | Nuclear factor NF-kappa-B | translocation inhibitor | targets |
| O95342 | ABCB11 | Bile salt export pump | substrate | transporters |