cenicriviroc (CHEBI:149636)

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CHEBI:149636 - cenicriviroc

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ChEBI ID	CHEBI:149636
ChEBI Name	cenicriviroc
Stars
Definition	A member of the class of benzazocines that is (5Z)-1,2,3,4-tetrahydro-1-benzazocine which is substituted by a 2-methylpropyl, N-{4-[(S)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]phenyl}carboxamide and 4-(2-butoxyethoxy)phenyl groups at positions 1, 5 and 8, respectively. It is a potent chemokine 2 and 5 receptor antagonist currently in development for the treatment of liver fibrosis in adults with nonalcoholic steatohepatitis (NASH).
Last Modified	3 February 2025
Submitter	slaulederkind
Downloads	Molfile

Formula	C41H52N4O4S
Net Charge	0
Average Mass	696.958
Monoisotopic Mass	696.37093
SMILES	CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1
InChI	InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1
InChIKey	PNDKCRDVVKJPKG-WHERJAGFSA-N

Wikipedia

Roles Classification

Biological Roles:	chemokine receptor 2 antagonist An antogonist that blocks chemokine receptor 2 (CCR2). anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. chemokine receptor 5 antagonist An antogonist that blocks chemokine receptor 5 (CCR5).
Applications:	anti-inflammatory agent Any compound that has anti-inflammatory effects. antirheumatic drug A drug used to treat rheumatoid arthritis. antifibrotic agent Any agent which acts to reduce fibrosis.

ChEBI Ontology

Outgoing Relation(s)
	cenicriviroc (CHEBI:149636) has role anti-HIV agent (CHEBI:64946)
	cenicriviroc (CHEBI:149636) has role anti-inflammatory agent (CHEBI:67079)
	cenicriviroc (CHEBI:149636) has role antifibrotic agent (CHEBI:233423)
	cenicriviroc (CHEBI:149636) has role antirheumatic drug (CHEBI:35842)
	cenicriviroc (CHEBI:149636) has role chemokine receptor 2 antagonist (CHEBI:149711)
	cenicriviroc (CHEBI:149636) has role chemokine receptor 5 antagonist (CHEBI:63673)
	cenicriviroc (CHEBI:149636) is a aromatic ether (CHEBI:35618)
	cenicriviroc (CHEBI:149636) is a benzazocine (CHEBI:39307)
	cenicriviroc (CHEBI:149636) is a diether (CHEBI:46786)
	cenicriviroc (CHEBI:149636) is a imidazoles (CHEBI:24780)
	cenicriviroc (CHEBI:149636) is a secondary carboxamide (CHEBI:140325)
	cenicriviroc (CHEBI:149636) is a sulfoxide (CHEBI:22063)

IUPAC Name
(5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-(4-{(S)-[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide

INNs	Source
cenicriviroc	WHO MedNet
cenicrivirocum	WHO MedNet
cenicriviroc	WHO MedNet
cénicriviroc	WHO MedNet

Synonyms	Source
TAK-652	ChemIDplus
TBR-652	ChemIDplus
CVC	ChemIDplus
TBR 652	DrugBank

Manual Xrefs	Databases
Cenicriviroc	Wikipedia
DB11758	DrugBank
D09878	KEGG DRUG

Registry Numbers	Sources
CAS:497223-25-3	ChemIDplus

Citations