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CHEBI:64165 - clobenpropit dihydrobromide

ChEBI IDCHEBI:64165
ChEBI Nameclobenpropit dihydrobromide
Stars
DefinitionA 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.
Last Modified15 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC14H17ClN4S.2HBr
Net Charge0
Average Mass470.662
Monoisotopic Mass467.93857
SMILESBr.Br.N=C(NCc1ccc(Cl)cc1)SCCCc1cncn1
InChIInChI=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
InChIKeyJIJQPEZAVLJZBO-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
Applications:
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 Relation(s)
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 hydrobromideChEBI
Registry NumbersSources
Reaxys:584034Reaxys
CAS:145231-35-2Reaxys