clobenpropit dihydrobromide (CHEBI:64165)

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ChEBI Name	clobenpropit dihydrobromide

ChEBI ID	CHEBI:64165

Definition	A hydrobromide salt obtained by reaction of clobenpropit with two equivalents of hydrobromic acid. An extremely potent histamine H₃ antagonist/inverse agonist (pA₂ = 9.93). Also displays partial agonist activity at H₄ receptors; induces eosinophil shape change with an EC₅₀ of 3 nM.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C14H19Br2ClN4S

Net Charge

Average Mass

470.65300

Monoisotopic Mass

467.93857

InChI

InChI=1S/C14H17ClN4S.2BrH/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13;;/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19);2*1H

InChIKey

JIJQPEZAVLJZBO-UHFFFAOYSA-N

SMILES

Br.Br.Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1

Roles Classification
Biological Role(s):	H4-receptor agonist A histamine agonist that binds to and activates H4-receptors. H3-receptor antagonist A histamine antagonist that selectively binds to but does not activate histamine H3 receptors, thereby blocking the actions of endogenous histamine.

Application(s):	H4-receptor agonist A histamine agonist that binds to and activates H4-receptors. H3-receptor antagonist A histamine antagonist that selectively binds to but does not activate histamine H3 receptors, thereby blocking the actions of endogenous histamine.

ChEBI Ontology
Outgoing	clobenpropit dihydrobromide (CHEBI:64165) has part clobenpropit(2+) (CHEBI:64193) clobenpropit dihydrobromide (CHEBI:64165) has role H₃-receptor antagonist (CHEBI:64176) clobenpropit dihydrobromide (CHEBI:64165) has role H₄-receptor agonist (CHEBI:64155) clobenpropit dihydrobromide (CHEBI:64165) is a hydrobromide (CHEBI:48367)

IUPAC Name

3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate dihydrobromide

Synonym	Source
clobenpropit hydrobromide	ChEBI

Last Modified

15 March 2012