Molecule Details
| InChIKey | YKPUWZUDDOIDPM-SOFGYWHQSA-N |
|---|---|
| Compound Name | Capsaicin |
| Canonical SMILES | COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06774 |
|---|---|
| Drug Name | Capsaicin |
| CAS Number | 404-86-4 |
| Groups | approved investigational |
| ATC Codes | M02AB01 N01BX04 |
| Description | Capsaicin is most often used as a topical analgesic and exists in many formulations of cream, liquid, and patch preparations of various strengths; however, it may also be found in some dietary supplements. Capsaicin is a naturally-occurring botanical irritant in chili peppers, synthetically derived ... |
Categories: Alkaloids Alkenes Amides Analgesics Anesthetics Anesthetics, Local Antipruritics Basic Lotions and Liniments Benzene Derivatives Capsaicin and Similar Agents Cholinesterase Inhibitors Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dermatologicals Lipids Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates Peripheral Nervous System Agents Phenols Polyunsaturated Alkamides Sensory System Agents Solanaceous Alkaloids TRPV1 Channel Agonists Topical Products for Joint and Muscular Pain
Cross-references: BindingDB: 20461 ChEBI: 3374 CHEMBL294199 ChemSpider: 1265957 Drugs Product Database (DPD): 3610 C06866 D00250 PDB: 4DY PubChem:1548943 PubChem:347827793 RxCUI: 1992 Wikipedia: Capsaicin ZINC: ZINC000001530575
Target Activities (3)
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inducer | enzymes |
| P15104 | P15104 | Glutamine synthetase | inducer | enzymes |
| P05164 | MPO | Myeloperoxidase | inhibitor | enzymes |
| P06276 | BCHE | Cholinesterase | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P09172 | DBH | Dopamine beta-hydroxylase | inhibitor | enzymes |
| P21397 | MAOA | Amine oxidase [flavin-containing] A | inhibitor | enzymes |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | substrate | enzymes |
| Q8NER1 | TRPV1 | Transient receptor potential cation channel subfamily V member 1 | agonist | targets |
| Q99623 | PHB2 | Prohibitin-2 | modulator | targets |
| Q8NER1 | TRPV1 | Transient receptor potential cation channel subfamily V member 1 | regulator | targets |