cetrimonium 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
quaternary ammonium compounds	3082	57-09-0

Description:

Molecule

Description

Molfile Inchi Smiles

Synonyms:

cetrimonium bromide
cetrimonium

Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.

Molecular weight: 284.55
Formula: C19H42N
CLOGP: 2.68
LIPINSKI: 0
HAC: 1
HDO: 0
TPSA:
ALOGS: -7.79
ROTB: 15

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70	58
kinase-selectivity-class	AKT2,AXL,CAMK2A,CAMK2D,CDK4,EIF2AK3,EPHB4,GRK2,INSR,LRRK2,MAP2K6,MAPK10,MAPK7,MELK,MTOR,PDK4,PLK1,PLK2,PLK3,PLK4,PRKCD,PTK2,SIK2,STK33,TEK,TTK	26
pfas-class	PFAS structural alert (1 = True, 0 = False)	0

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Adjustment disorder with depressed mood	45.49	28.92	30	4209	56723	90567485
Deep vein thrombosis postoperative	37.31	28.92	29	4210	70780	90553428
Breast cancer stage III	36.91	28.92	31	4208	84416	90539792
Medication error	36.84	28.92	31	4208	84621	90539587
Bursitis	33.83	28.92	36	4203	131618	90492590
Autoimmune disorder	33.18	28.92	28	4211	76716	90547492
Prescribed overdose	33.02	28.92	31	4208	97594	90526614

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Adjustment disorder with depressed mood	54.54	40.88	28	3898	43855	110541518
Deep vein thrombosis postoperative	44.08	40.88	27	3899	59264	110526109
Prescribed overdose	43.50	40.88	31	3895	87550	110497823
Swollen joint count increased	42.44	40.88	30	3896	83631	110501742
Breast cancer stage III	41.60	40.88	29	3897	79088	110506285

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	D08AJ02	DERMATOLOGICALS ANTISEPTICS AND DISINFECTANTS ANTISEPTICS AND DISINFECTANTS Quaternary ammonium compounds
ATC	R02AA17	RESPIRATORY SYSTEM THROAT PREPARATIONS THROAT PREPARATIONS Antiseptics
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D000891	Anti-Infective Agents, Local
CHEBI has role	CHEBI:27780	Detergents
CHEBI has role	CHEBI:35195	surfactant

Related Drugs by ATC class:

D08AJ Quaternary ammonium compounds 9 drugs

benzalkonium benzethonium benzoxonium chloride cetrimide cetylpyridinium decamethoxine didecyldimethylammonium chloride dodeclonium bromide octenidine

R02AA Antiseptics 15 drugs

ambazone benzalkonium benzethonium cetylpyridinium chlorhexidine chlorquinaldol dequalinium dichlorobenzyl alcohol euflavine hexamidine hexylresorcinol octenidine show all 15 →

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Dynamin-1	Structural	Q05193	DYN1_HUMAN		IC50	5.36		CHEMBL

External reference:

ID	Source
4020954	VUID
N0000184202	NUI
D03454	KEGG_DRUG
6899-10-1	SECONDARY_CAS_RN
4020954	VANDF
C0055151	UMLSCUI
CHEBI:39561	CHEBI
CHEMBL1183605	ChEMBL_ID
CHEMBL307346	ChEMBL_ID
DB01718	DRUGBANK_ID
Z7FF1XKL7A	UNII
2681	PUBCHEM_CID
20614	RXNORM
NOCODE	MMSL
004334	NDDF
004335	NDDF
D000077286	MESH_DESCRIPTOR_UI
16A	PDB_CHEM_ID
2036	INN_ID

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
Dr. Zheng bacteriostatic solution	HUMAN OTC DRUG LABEL	1	42091-001	LIQUID	0.13 mg	EXTRACORPOREAL	unapproved drug other	7 sections