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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 19662
    role 19606
      biological role 19604
        biochemical role 19133
          apoptosis inducer 10823
            entinostat 2479
              pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic group 18340
                              organic divalent group 18330
                                organodiyl group 18330
                                  carbonyl group 18217
                                    carbonyl compound 18217
                                      carboxylic acid 17921
                                        carboacyl group 16944
                                          univalent carboacyl group 16944
                                            carbamoyl group 16623
                                              carboxamide 16623
                                                monocarboxylic acid amide 13187
                                                  arenecarboxamide 6405
                                                    benzamides 6405
                                                      entinostat 2479
                                                        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.