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CHEBI:52140 - clemizole

Default Structure
ChEBI IDCHEBI:52140
ChEBI Nameclemizole
Stars
DefinitionA member of the class of benzimidazoles that is 1H-benzimidazole substituted by a pyrrolidin-1-ylmethyl and a 4-chlorobenzyl groups at positions 2 and 1 respectively.
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H20ClN3
Net Charge0
Average Mass325.843
Monoisotopic Mass325.13458
SMILESClc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
InChIKeyCJXAEXPPLWQRFR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
antiviral agent  A substance that destroys or inhibits replication of viruses.
Applications:
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
anticonvulsant  A drug used to prevent seizures or reduce their severity.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
clemizole (CHEBI:52140) has parent hydride 1H-benzimidazole (CHEBI:41275)
clemizole (CHEBI:52140) has role anticonvulsant (CHEBI:35623)
clemizole (CHEBI:52140) has role antineoplastic agent (CHEBI:35610)
clemizole (CHEBI:52140) has role antiviral agent (CHEBI:22587)
clemizole (CHEBI:52140) has role histamine antagonist (CHEBI:37956)
clemizole (CHEBI:52140) is a benzimidazoles (CHEBI:22715)
clemizole (CHEBI:52140) is a monochlorobenzenes (CHEBI:83403)
clemizole (CHEBI:52140) is a pyrrolidines (CHEBI:38260)
clemizole (CHEBI:52140) is conjugate base of clemizole(1+) (CHEBI:52146)
Incoming Relation(s)
clemizole(1+) (CHEBI:52146) is conjugate acid of clemizole (CHEBI:52140)
IUPAC Name 
1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole
INNs  Source
clemizolChemIDplus
clemizoleChemIDplus
clemizolumChemIDplus
Synonyms  Source
1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazoleChemIDplus
AL-20 FREE BASEChEMBL
DepocuralNIST Chemistry WebBook
LergopeninNIST Chemistry WebBook
NSC-46261ChEMBL
Manual XrefsDatabases
672DrugCentral
ClemizoleWikipedia
LSM-5225LINCS
Registry NumbersSources
Reaxys:323050Reaxys
CAS:442-52-4NIST Chemistry WebBook
CAS:442-52-4ChemIDplus
Citations