CHEBI:149636 - cenicriviroc

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ChEBI Name cenicriviroc
ChEBI ID CHEBI:149636
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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Stan Laulederkind
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Formula C41H52N4O4S
Net Charge 0
Average Mass 696.950
Monoisotopic Mass 696.37093
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
SMILES C1=C(CCCN(C2=C1C=C(C=C2)C=3C=CC(=CC3)OCCOCCCC)CC(C)C)C(=O)NC=4C=CC(=CC4)[S@](CC=5N(C=NC5)CCC)=O
Roles Classification
Biological Role(s): chemokine receptor 5 antagonist
An antogonist that blocks chemokine receptor 5 (CCR5).
anti-HIV agent
An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
chemokine receptor 2 antagonist
An antogonist that blocks chemokine receptor 2 (CCR2).
Application(s): antirheumatic drug
A drug used to treat rheumatoid arthritis.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
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ChEBI Ontology
Outgoing 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 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 Sources
cenicriviroc WHO MedNet
cenicriviroc WHO MedNet
cénicriviroc WHO MedNet
cenicrivirocum WHO MedNet
Synonyms Sources
CVC ChemIDplus
TAK-652 ChemIDplus
TBR 652 DrugBank
TBR-652 ChemIDplus
Manual Xrefs Databases
Cenicriviroc Wikipedia
D09878 KEGG DRUG
DB11758 DrugBank
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Registry Number Type Source
497223-25-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
12 May 2020