Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   


go back to main search page
Accession:CHEBI:3353 term browser browse the term
Definition:The 2,3-dihydro-1H-inden-5-yl ester of the active enantiomer of candoxatrilat. Candoxatril is an orally active prodrug of candoxatrilat, a potent neutral endopeptidase (NEP, neprilysin) inhibitor used in the treatment of chronic heart failure.
Synonyms:exact_synonym: cis-4-{[(1-{(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid
 related_synonym: 4-({1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxy-ethoxy)-propyl]-cyclopentanecarbonyl}-amino)-cyclohexanecarboxylic acid;   Formula=C29H41NO7;   InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1;   InChIKey=ZTWZVMIYIIVABD-OEMFJLHTSA-N;   SMILES=COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)Oc1ccc2CCCc2c1;   [4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid
 alt_id: CHEBI:152166
 xref: Beilstein:8374063 "Beilstein";   CAS:123122-55-4 "ChemIDplus";   DrugBank:DB00616;   KEGG:D01070;   Patent:EP274234;   Patent:US5030654

show annotations for term's descendants       view all columns           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19669
    role 19613
      biological role 19611
        inhibitor 18059
          enzyme inhibitor 17973
            EC 3.* (hydrolase) inhibitor 17504
              EC 3.4.* (hydrolases acting on peptide bond) inhibitor 3125
                EC 3.4.24.* (metalloendopeptidase) inhibitor 808
                  candoxatril 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        carboacyl group 16943
                                          univalent carboacyl group 16943
                                            carbamoyl group 16622
                                              carboxamide 16622
                                                dicarboxylic acid amide 3083
                                                  dicarboxylic acid monoamide 669
                                                    candoxatrilat 3
                                                      candoxatril 0
paths to the root


RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.