Molecule Details
| InChIKey | LZCDAPDGXCYOEH-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.18 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00210 |
|---|---|
| Drug Name | Adapalene |
| CAS Number | 106685-40-9 |
| Groups | approved investigational |
| ATC Codes | D10AD03 D10AD53 |
| Description | Acne vulgaris is a multifactorial disorder of the pilosebaceous unit involving increased sebum production, inflammation, and hyperproliferation/hyperkeratinization of the follicular infundibulum. It is also associated with _Cutibacterium acnes_ (also known as _Propionibacterium acnes_). Adapalene is... |
Categories: Anti-Acne Preparations Anti-Acne Preparations for Topical Use Anti-Inflammatory Agents Dermatologicals Misc. Skin and Mucous Membrane Agents Naphthalenes Retinoids Retinoids for Topical Use in Acne
Cross-references: BindingDB: 50048280 ChEBI: 31174 CHEMBL1265 ChemSpider: 54244 Drugs Product Database (DPD): 224 D01112 PharmGKB: PA448047 PubChem:60164 PubChem:46505019 RxCUI: 60223 Therapeutic Targets Database: DAP000115 Wikipedia: Adapalene ZINC: ZINC000003784182
Target Activities (2)
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| 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 |
| O60603 | TLR2 | Toll-like receptor 2 | antagonist | targets |
| P05412 | JUN | Transcription factor Jun | antagonist | targets |
| P17174 | GOT1 | Aspartate aminotransferase, cytoplasmic | inhibitor | targets |