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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:candoxatrilat
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Accession:CHEBI:3354 term browser browse the term
Definition:A dicarboxylic acid monoamide obtained by formal condensation between the amino group of cis-4-aminocyclohexanecarboxylic acid and the cyclopentanecarboxylic acid group of 1-[(2S)-2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentanecarboxylic acid. A potent inhibitor of neutral endopeptidase (NEP, neprilysin, EC 3.4.24.11), it is used as its 2,3-dihydro-1H-inden-5-yl ester prodrug in the treatment of chronic heart failure.
Synonyms:exact_synonym: cis-4-[({1-[(2S)-2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentyl}carbonyl)amino]cyclohexanecarboxylic acid
 related_synonym: 4-({1-[(S)-2-Carboxy-3-(2-methoxy-ethoxy)-propyl]-cyclopentanecarbonyl}-amino)-cyclohexanecarboxylic acid;   Formula=C20H33NO7;   InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-,16+/m0/s1;   InChIKey=ACZWIDANLCXHBM-HRCADAONSA-N;   SMILES=COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O;   candoxatrilate
 alt_id: CHEBI:380571
 xref: Beilstein:8365079;   CAS:123122-54-3;   CAS:123898-42-0;   DrugBank:DB00616;   KEGG:C11721;   KEGG:D03349
 xref_mesh: MESH:C060942


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candoxatrilat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Mme membrane metallo-endopeptidase decreases activity ISO candoxatrilat results in decreased activity of MME protein CTD PMID:18084312 NCBI chr 2:147,686,913...147,803,808
Ensembl chr 2:147,722,086...147,803,792
JBrowse link
G Mmel1 membrane metallo-endopeptidase-like 1 decreases activity ISO candoxatrilat results in decreased activity of MMEL1 protein CTD PMID:18084312 NCBI chr 5:165,431,278...165,461,716
Ensembl chr 5:165,431,343...165,461,716
JBrowse link
G Nppa natriuretic peptide A multiple interactions EXP candoxatrilat inhibits the reaction [Carbon Tetrachloride results in decreased secretion of NPPA protein] CTD PMID:16449355 NCBI chr 5:158,429,042...158,430,351
Ensembl chr 5:158,429,042...158,430,351
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      biological role 19769
        inhibitor 18592
          enzyme inhibitor 18398
            EC 3.* (hydrolase) inhibitor 17930
              EC 3.4.* (hydrolases acting on peptide bond) inhibitor 4036
                EC 3.4.24.* (metalloendopeptidase) inhibitor 834
                  candoxatrilat 3
                    candoxatril 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        carboacyl group 17485
                                          univalent carboacyl group 17485
                                            carbamoyl group 17299
                                              carboxamide 17299
                                                dicarboxylic acid amide 3133
                                                  dicarboxylic acid monoamide 676
                                                    candoxatrilat 3
                                                      candoxatril 0
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