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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:cenicriviroc
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Accession:CHEBI:149636 term browser browse the term
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).
Synonyms:exact_synonym: (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
 related_synonym: CVC;   Formula=C41H52N4O4S;   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;   TAK-652;   TBR 652;   cenicrivirocum
 xref: CAS:497223-25-3;   DrugBank:DB11758;   KEGG:D09878;   PMID:16251299;   PMID:20721836;   PMID:25394040;   PMID:26247470;   PMID:26525792;   PMID:27169903;   PMID:28940700;   PMID:29448843;   PMID:29561896;   PMID:30088682;   PMID:30135687;   PMID:30179264;   PMID:30239650;   PMID:30622370;   PMID:31312356;   PMID:31629375;   PMID:31661521;   PMID:31680767;   PMID:31731005;   PMID:31881392;   PMID:31943293;   PMID:32013805;   PMID:32269742;   Wikipedia:Cenicriviroc



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Term Annotations click to browse term
  CHEBI ontology 19812
    role 19763
      application 19477
        anti-inflammatory agent 15848
          cenicriviroc 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19710
                    p-block element atom 19710
                      carbon group element atom 19631
                        carbon atom 19621
                          organic molecular entity 19621
                            organic group 18730
                              organic divalent group 18721
                                organodiyl group 18721
                                  carbonyl group 18670
                                    carbonyl compound 18670
                                      carboxylic acid 18367
                                        carboacyl group 17487
                                          univalent carboacyl group 17487
                                            carbamoyl group 17303
                                              carboxamide 17303
                                                secondary carboxamide 316
                                                  cenicriviroc 0
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