clobenpropit (CHEBI:64177)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	clobenpropit

ChEBI ID	CHEBI:64177

Definition	An imidothiocarbamic ester that consists of isothiourea bearing S-3-(imidazol-4-yl)propyl and N-4-chlorobenzyl substituents. 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.

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C14H17ClN4S

Net Charge

Average Mass

308.83000

Monoisotopic Mass

308.08625

InChI

InChI=1S/C14H17ClN4S/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)

InChIKey

UCAIEVHKDLMIFL-UHFFFAOYSA-N

SMILES

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

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

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

ChEBI Ontology
Outgoing	clobenpropit (CHEBI:64177) has role H₃-receptor antagonist (CHEBI:64176) clobenpropit (CHEBI:64177) has role H₄-receptor agonist (CHEBI:64155) clobenpropit (CHEBI:64177) is a imidazoles (CHEBI:24780) clobenpropit (CHEBI:64177) is a imidothiocarbamic ester (CHEBI:38914) clobenpropit (CHEBI:64177) is a organochlorine compound (CHEBI:36683) clobenpropit (CHEBI:64177) is conjugate base of clobenpropit(2+) (CHEBI:64193)

Incoming	clobenpropit(2+) (CHEBI:64193) is conjugate acid of clobenpropit (CHEBI:64177)

IUPAC Name

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

Synonym	Source
S-(3-(4(5)-Imidazolyl))propyl-N-(4-chlorobenzyl)isothiourea	ChemIDplus

Last Modified

25 February 2016