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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 19880
    role 19850
      biological role 19848
        inhibitor 18924
          enzyme inhibitor 18751
            EC 3.* (hydrolase) inhibitor 18357
              EC 3.4.* (hydrolases acting on peptide bond) inhibitor 4448
                EC 3.4.24.* (metalloendopeptidase) inhibitor 857
                  candoxatrilat 3
                    candoxatril 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbon oxoacid 18658
                                    carboxylic acid 18655
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17550
                                            carboxamide 17550
                                              dicarboxylic acid amide 3153
                                                dicarboxylic acid monoamide 683
                                                  candoxatrilat 3
                                                    candoxatril 0
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