Molecule Details
| InChIKey | NEUSVAOJNUQRTM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Cetylpyridinium |
| Canonical SMILES | CCCCCCCCCCCCCCCC[n+]1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11073 |
|---|---|
| Drug Name | Cetylpyridinium |
| CAS Number | 7773-52-6 |
| Groups | approved investigational |
| ATC Codes | D08AJ03 A01AB53 B05CA01 R02AA06 D09AA07 |
| Description | Cetylpyridinium is a quaternary ammonium with broad-spectrum antiseptic properties. Its salt form, cetylpyridinium chloride, is typically found as an active ingredient in mouthwashes, toothpastes, lozenges, throat sprays, breath sprays, and nasal sprays. In these products, it generally mediates an a... |
Categories: Alimentary Tract and Metabolism Anti-Infective Agents Anti-Infective Agents, Local Antiinfectives and Antiseptics for Local Oral Treatment Antiseptics and Disinfectants Blood Substitutes and Perfusion Solutions Blood and Blood Forming Organs Compounds used in a research, industrial, or household setting Dermatologicals Detergents Household Products Irrigating Solutions Medicated Dressings Medicated Dressings With Antiinfectives Miscellaneous Anti-infectives Mouthwashes and Gargles Pyridines Pyridinium Compounds Quaternary Ammonium Compounds Stomatological Preparations Surface-Active Agents Throat Preparations
Cross-references: BindingDB: 80992 ChEBI: 32914 CHEMBL305906 ChemSpider: 2582 Drugs Product Database (DPD): 7152 PubChem:2683 PubChem:347827886 RxCUI: 2286 Wikipedia: Cetylpyridinium_chloride ZINC: ZINC000006845963
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 7.4 | IC50 | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.8 | IC50 | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.0 | Ki | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | Clinical | TTD_MultiTarget | TTD_MultiTarget |