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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
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;   KEGG:D09338;   LINCS:LSM-4811
 xref_mesh: MESH:C118739
 xref: PMID:10200307;   PMID:12414635;   PMID:21767511;   PMID:23247046;   PMID:23410027;   PMID:24147654;   PMID:25610877;   PMID:26098363;   PMID:26464689;   PMID:26614912;   PMID:26711240;   PMID:27151994;   Reaxys:8442710;   Wikipedia:Entinostat


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          apoptosis inducer 0
            entinostat 0
              pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                arenecarboxamide 0
                                                  benzamides 0
                                                    entinostat 0
                                                      pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
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