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Compound Detail

CHEMBL305906

CETYLPYRIDINIUM
🧪 Phase III
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🧪 Phase III
CCCCCCCCCCCCCCCC[n+]1ccccc1

Basic Information

ChEMBL ID CHEMBL305906
Name CETYLPYRIDINIUM
Phase Phase III
Structure Type MOL
InChI Key NEUSVAOJNUQRTM-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Cetylpyridinium
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
1
Known Names
1
Mechanisms

Molecular Properties

304.5
MW (Da)
6.46
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -ium

Extended Properties

Molecular Formula C21H38N+
MW 304.54
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.07

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Unknown - -

ATC Classification

B05CA01
cetylpyridinium
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
D08AJ03
cetylpyridinium
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS
D09AA07
cetylpyridinium
Level 1: DERMATOLOGICALS
Level 2: MEDICATED DRESSINGS
R02AA06
cetylpyridinium
Level 1: RESPIRATORY SYSTEM
Level 2: THROAT PREPARATIONS

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
2374149 10.1021/jm00170a029 Sodium-dependent dopamine transporter 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 1
37468498 10.1038/s41467-023-40064-9 Vascular endothelial growth factor receptor 2 1
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 1
37468498 10.1038/s41467-023-40064-9 Voltage-dependent L-type calcium channel subunit alpha-1C 1
37468498 10.1038/s41467-023-40064-9 Sodium channel protein type 5 subunit alpha 1
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 1
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 1
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
37468498 10.1038/s41467-023-40064-9 Bile salt export pump 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1

Data from ChEMBL 36 via Core Engine