Molecule Details
| InChIKey | FPIPGXGPPPQFEQ-OVSJKPMPSA-N |
|---|---|
| Compound Name | Retinol |
| Canonical SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.96 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00162 |
|---|---|
| Drug Name | Vitamin A |
| CAS Number | 68-26-8 |
| Groups | approved investigational nutraceutical vet_approved |
| ATC Codes | S01XA02 V04CB01 D10AD02 R01AX02 A11CA01 |
| Description | Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of carotenoids found in plants. It is ... |
Categories: Adjuvants, Immunologic Alimentary Tract and Metabolism Alkenes Anti-Acne Preparations Anti-Acne Preparations for Topical Use Anticarcinogenic Agents Antioxidants Biological Factors Carotenoids Compounds used in a research, industrial, or household setting Cyclohexanes Cyclohexenes Cycloparaffins Dermatologicals Diagnostic Agents Diet, Food, and Nutrition Diterpenes Esters Food Growth Substances Immunologic Factors Micronutrients Nasal Preparations Ophthalmologicals Physiological Phenomena Pigments, Biological Polyenes Protective Agents Retinoids Retinoids for Topical Use in Acne Sensory Organs Terpenes Tests for Fat Absorption Vitamin A Vitamins Vitamins (Fat Soluble)
Cross-references: BindingDB: 50092056 ChEBI: 17336 CHEMBL986 ChemSpider: 393012 Drugs Product Database (DPD): 704 C17276 D00069 PDB: RTL PharmGKB: PA451884 PubChem:445354 PubChem:46508191 RxCUI: 11246 Therapeutic Targets Database: DNC001498 Wikipedia: Vitamin_A ZINC: ZINC000003831417
Target Activities (3)
DrugBank Target Actions (27)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02753 | RBP4 | Retinol-binding protein 4 | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P09455 | P09455 | Retinol-binding protein 1 | binder | carriers |
| P10745 | P10745 | Retinol-binding protein 3 | binder | carriers |
| P12271 | RLBP1 | Retinaldehyde-binding protein 1 | binder | carriers |
| P50120 | P50120 | Retinol-binding protein 2 | binder | carriers |
| P82980 | P82980 | Retinol-binding protein 5 | binder | carriers |
| Q96R05 | Q96R05 | Retinoid-binding protein 7 | binder | carriers |
| O43174 | CYP26A1 | Cytochrome P450 26A1 | inducer | enzymes |
| O43174 | CYP26A1 | Cytochrome P450 26A1 | substrate | enzymes |
| P48443 | RXRG | Retinoic acid receptor RXR-gamma | binder | targets |
| P05090 | P05090 | Apolipoprotein D | ligand | targets |
| P41222 | PTGDS | Prostaglandin-H2 D-isomerase | ligand | targets |
| O75911 | O75911 | Short-chain dehydrogenase/reductase 3 | substrate | targets |
| O94788 | ALDH1A2 | Retinal dehydrogenase 2 | substrate | targets |
| O95237 | O95237 | Lecithin retinol acyltransferase | substrate | targets |
| P00352 | ALDH1A1 | Aldehyde dehydrogenase 1A1 | substrate | targets |
| P47895 | ALDH1A3 | Retinaldehyde dehydrogenase 3 | substrate | targets |
| Q6NUM9 | Q6NUM9 | All-trans-retinol 13,14-reductase | substrate | targets |
| Q8NBN7 | Q8NBN7 | Retinol dehydrogenase 13 | substrate | targets |
| Q8TC12 | Q8TC12 | Retinol dehydrogenase 11 | substrate | targets |
| Q92781 | Q92781 | Retinol dehydrogenase 5 | substrate | targets |
| Q96NR8 | Q96NR8 | Retinol dehydrogenase 12 | substrate | targets |
| Q9BTZ2 | Q9BTZ2 | Dehydrogenase/reductase SDR family member 4 | substrate | targets |
| Q9HBH5 | Q9HBH5 | Retinol dehydrogenase 14 | substrate | targets |
| Q9NYR8 | Q9NYR8 | Retinol dehydrogenase 8 | substrate | targets |
| Q9BX79 | STRA6 | Receptor for retinol uptake STRA6 | substrate | transporters |