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ONTOLOGY REPORT - ANNOTATIONS


Term:entinostat
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Accession:CHEBI:132082 term browser browse the term
Definition:A member of the class of benzamides resulting from the formal condensation of the carboxy group of the pyridin-3-ylmethyl carbamate derivative of p-(aminomethyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an inhibitor of histone deacetylase isoform 1 (HDAC1) and isoform 3 (HDAC3).
Synonyms:exact_synonym: pyridin-3-ylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate
 related_synonym: BAY 86-5274;   BAY86-5274;   Formula=C21H20N4O3;   InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26);   InChIKey=INVTYAOGFAGBOE-UHFFFAOYSA-N;   MS 27-275;   MS-275;   N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide;   N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester;   SMILES=C(=O)(OCC1=CN=CC=C1)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N;   SNDX 275;   entinostatum
 alt_id: CHEBI:94191;   MESH:C118739
 xref: CAS:209783-80-2 "ChemIDplus";   CAS:209783-80-2 "KEGG DRUG";   KEGG:D09338;   LINCS:LSM-4811
 xref_mesh: MESH:C118739
 xref: PMID:10200307 "Europe PMC";   PMID:12414635 "Europe PMC";   PMID:21767511 "Europe PMC";   PMID:23247046 "Europe PMC";   PMID:23410027 "Europe PMC";   PMID:24147654 "Europe PMC";   PMID:25610877 "Europe PMC";   PMID:26098363 "Europe PMC";   PMID:26464689 "Europe PMC";   PMID:26614912 "Europe PMC";   PMID:26711240 "Europe PMC";   PMID:27151994 "Europe PMC";   Reaxys:8442710 "Reaxys";   Wikipedia:Entinostat


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Path 1
Term Annotations click to browse term
  CHEBI ontology 20965
    role 20946
      biological role 20944
        biochemical role 19953
          apoptosis inducer 10930
            entinostat 2495
              pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20965
    subatomic particle 20959
      composite particle 20959
        hadron 20959
          baryon 20959
            nucleon 20959
              atomic nucleus 20959
                atom 20959
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20536
                        carbon atom 20512
                          organic molecular entity 20512
                            organic group 19164
                              organic divalent group 19154
                                organodiyl group 19154
                                  carbonyl group 19124
                                    carbonyl compound 19124
                                      carboxylic acid 18804
                                        carboacyl group 17444
                                          univalent carboacyl group 17444
                                            carbamoyl group 17145
                                              carboxamide 17145
                                                monocarboxylic acid amide 14446
                                                  arenecarboxamide 6572
                                                    benzamides 6572
                                                      entinostat 2495
                                                        pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.