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ONTOLOGY REPORT - ANNOTATIONS


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 JBrowse Chr Start Stop Reference
G Mme membrane metallo-endopeptidase JBrowse link 2 153,799,203 153,880,910 RGD:6480464
G Mmel1 membrane metallo-endopeptidase-like 1 JBrowse link 5 172,273,450 172,303,905 RGD:6480464
G Nppa natriuretic peptide A JBrowse link 5 164,808,407 164,809,716 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19779
    role 19727
      biological role 19726
        inhibitor 18175
          enzyme inhibitor 18097
            EC 3.* (hydrolase) inhibitor 17584
              EC 3.4.* (hydrolases acting on peptide bond) inhibitor 3163
                EC 3.4.24.* (metalloendopeptidase) inhibitor 815
                  candoxatrilat 3
                    candoxatril 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    p-block element atom 19664
                      carbon group element atom 19559
                        carbon atom 19548
                          organic molecular entity 19548
                            organic group 18463
                              organic divalent group 18456
                                organodiyl group 18456
                                  carbonyl group 18356
                                    carbonyl compound 18356
                                      carboxylic acid 18027
                                        carboacyl group 17185
                                          univalent carboacyl group 17185
                                            carbamoyl group 16924
                                              carboxamide 16924
                                                dicarboxylic acid amide 3093
                                                  dicarboxylic acid monoamide 674
                                                    candoxatrilat 3
                                                      candoxatril 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.