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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 23806
    role 23693
      biological role 23656
        biochemical role 23002
          apoptosis inducer 11684
            entinostat 2700
              pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23806
    subatomic particle 23757
      composite particle 23757
        hadron 23757
          baryon 23757
            nucleon 23757
              atomic nucleus 23757
                atom 23757
                  main group element atom 23576
                    p-block element atom 23576
                      carbon group element atom 23289
                        carbon atom 23243
                          organic molecular entity 23243
                            organic group 21926
                              organic divalent group 21898
                                organodiyl group 21898
                                  carbonyl group 21869
                                    carbonyl compound 21869
                                      carboxylic acid 20919
                                        carboacyl group 19027
                                          univalent carboacyl group 19027
                                            carbamoyl group 18375
                                              carboxamide 18375
                                                monocarboxylic acid amide 15344
                                                  arenecarboxamide 7235
                                                    benzamides 7235
                                                      entinostat 2700
                                                        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.