GproteinDb

BENZETHONIUM

Agent/drug
Bioactivity

BENZETHONIUM

SMILES	CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
InChIKey	SIYLLGKDQZGJHK-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	0
Rotatable bonds	11
Molecular weight (Da)	412.3

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_2A	ADA2A	Human	Adrenoceptors	A	pKi	5.93	5.93	5.93	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	8.23	8.23	8.23	Drug Central
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	6.53	6.53	6.53	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	8.18	8.18	8.18	Drug Central
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.54	6.54	6.54	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	8.18	8.18	8.18	Drug Central
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.43	7.43	7.43	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	8.13	8.13	8.13	Drug Central
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.27	6.27	6.27	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	8.20	8.20	8.20	Drug Central
kisspeptin	KISSR	Human	Kisspeptin	A	pKi	5.44	5.44	5.44	ChEMBL
kisspeptin	KISSR	Human	Kisspeptin	A	pKi	8.26	8.26	8.26	Drug Central
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	7.00	7.00	7.00	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	8.15	8.15	8.15	Drug Central
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	6.69	6.69	6.69	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	8.17	8.17	8.17	Drug Central
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	7.09	7.09	7.09	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	8.15	8.15	8.15	Drug Central
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	7.44	7.44	7.44	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	8.13	8.13	8.13	Drug Central

Showing 1 to 20 of 24 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_2A	ADA2A	Human	Adrenoceptors	A	pIC50	5.51	5.51	5.51	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pIC50	6.19	6.19	6.19	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pIC50	5.71	5.71	5.71	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	6.89	6.89	6.89	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	5.99	5.99	5.99	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	6.38	6.38	6.38	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pIC50	6.24	6.24	6.24	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pIC50	6.42	6.42	6.42	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pIC50	6.59	6.59	6.59	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pIC50	6.87	6.87	6.87	ChEMBL
NK₂	NK2R	Human	Tachykinin	A	pIC50	5.72	5.72	5.72	ChEMBL
TSH	TSHR	Human	Glycoprotein hormone	A	Potency	4.40	4.67	4.80	ChEMBL

Showing 1 to 12 of 12 entries

BENZETHONIUM

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids ChEMBL_compound_ids PubChem PubChem GPCRdb

Compound is not listed as a drug.