Molecule Details
| InChIKey | AGBQKNBQESQNJD-SSDOTTSWSA-N |
|---|---|
| Compound Name | Lipoic acid |
| Canonical SMILES | O=C(O)CCCC[C@@H]1CCSS1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.0 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
DrugBank Annotations
| DrugBank ID | DB00166 |
|---|---|
| Drug Name | Lipoic acid |
| CAS Number | 1200-22-2 |
| Groups | approved investigational nutraceutical |
| ATC Codes | A16AX01 |
| Description | A vitamin-like antioxidant. |
Categories: Alimentary Tract and Metabolism Antioxidants Biological Factors Coenzymes Compounds used in a research, industrial, or household setting Dietary Supplements Enzymes and Coenzymes Fatty Acids Hypoglycemia-Associated Agents Lipids Micronutrients Protective Agents Sulfur Compounds Supplements Thiophenes Various Alimentary Tract and Metabolism Products Vitamin B Complex Vitamins
Cross-references: BindingDB: 50106731 ChEBI: 30314 CHEMBL134342 ChemSpider: 5886 C16241 D00086 PDB: LPA PharmGKB: PA164776929 PubChem:6112 PubChem:46504826 RxCUI: 6417 Wikipedia: Lipoic_acid ZINC: ZINC000001544807
Target Activities (2)
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P16435 | P16435 | NADPH--cytochrome P450 reductase | inhibitor | enzymes |
| O43766 | O43766 | Lipoyl synthase, mitochondrial | binder | targets |
| Q9Y234 | Q9Y234 | Lipoyl amidotransferase LIPT1, mitochondrial | binder | targets |
| Q9Y289 | SLC5A6 | Sodium-dependent multivitamin transporter | binder | targets |
| P22303 | ACHE | Acetylcholinesterase | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |