Molecule Details
| InChIKey | SHGAZHPCJJPHSC-ZVCIMWCZSA-N |
|---|---|
| Compound Name | 9-Cis-Retinoic Acid |
| Canonical SMILES | CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00523 |
|---|---|
| Drug Name | Alitretinoin |
| CAS Number | 5300-03-8 |
| Groups | approved |
| ATC Codes | L01XF02 D11AH04 |
| Description | An important regulator of gene expression during growth and development, and in neoplasms. Tretinoin, also known as retinoic acid and derived from maternal vitamin A, is essential for normal growth; and embryonic development. An excess of tretinoin can be teratogenic. It is used in the treatment of ... |
Categories: Agents for Dermatitis, Excluding Corticosteroids Alkenes Antineoplastic Agents Antineoplastic and Immunomodulating Agents Biological Factors Carotenoids Cyclohexanes Cyclohexenes Cycloparaffins Dermatologicals Diterpenes Hydrocarbons, Acyclic Misc. Skin and Mucous Membrane Agents P-glycoprotein substrates Pigments, Biological Polyenes Retinoids Retinoids for cancer treatment Terpenes Vitamin A Vitamins Vitamins (Fat Soluble)
Cross-references: BindingDB: 31892 ChEBI: 50648 CHEMBL705 ChemSpider: 395778 Drugs Product Database (DPD): 11885 C15493 D02815 PDB: 9CR PharmGKB: PA164746900 PubChem:449171 PubChem:46507356 RxCUI: 81864 Therapeutic Targets Database: DAP000275 Wikipedia: Alitretinoin ZINC: ZINC000012661824
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P10826 | RARB | Homo sapiens | Human | PF00104 PF00105 | 8.2 | Kd | ChEMBL;BindingDB |
| P28702 | RXRB | Homo sapiens | Human | PF00104 PF00105 | 8.0 | Kd | ChEMBL;BindingDB |
| P19793 | RXRA | Homo sapiens | Human | PF00104 PF11825 PF00105 | 7.9 | Kd | ChEMBL;BindingDB |
| P48443 | RXRG | Homo sapiens | Human | PF00104 PF11825 PF00105 | 7.8 | Kd | ChEMBL;BindingDB |
| P13631 | RARG | Homo sapiens | Human | PF00104 PF00105 | 7.7 | Kd | ChEMBL;BindingDB |
| P10276 | RARA | Homo sapiens | Human | PF00104 PF00105 | 7.7 | Kd | ChEMBL;BindingDB |
| P22736 | NR4A1 | Homo sapiens | Human | PF00104 PF00105 | 6.1 | Kd | ChEMBL |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P29373 | P29373 | Cellular retinoic acid-binding protein 2 | agonist | carriers |
| P29762 | P29762 | Cellular retinoic acid-binding protein 1 | agonist | carriers |
| P10276 | RARA | Retinoic acid receptor alpha | agonist | targets |
| P10826 | RARB | Retinoic acid receptor beta | agonist | targets |
| P13631 | RARG | Retinoic acid receptor gamma | agonist | targets |
| P19793 | RXRA | Retinoic acid receptor RXR-alpha | agonist | targets |
| P28702 | RXRB | Retinoic acid receptor RXR-beta | agonist | targets |
| P48443 | RXRG | Retinoic acid receptor RXR-gamma | agonist | targets |
| P17936 | P17936 | Insulin-like growth factor-binding protein 3 | binder | targets |
| Q15238 | Q15238 | Pregnancy-specific beta-1-glycoprotein 5 | binder | targets |
| Q6V0L0 | Q6V0L0 | Cytochrome P450 26C1 | binder | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |