Molecule Details
InChIKeyYKPUWZUDDOIDPM-SOFGYWHQSA-N
Compound NameCapsaicin
Canonical SMILESCOc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.77
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB06774
Drug NameCapsaicin
CAS Number404-86-4
Groups approved investigational
ATC Codes M02AB01 N01BX04
DescriptionCapsaicin 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)
Target Gene Organism Category Pfam pChEMBL Type Source
Q8NER1 TRPV1 Homo sapiens Human PF00023 PF12796 PF00520 8.1 IC50 ChEMBL;BindingDB
O60341 KDM1A Homo sapiens Human PF01593 PF04433 6.2 IC50 ChEMBL;BindingDB
Q7Z2W7 TRPM8 Homo sapiens Human PF00520 PF18139 PF25508 6.0 IC50 ChEMBL
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