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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 paths to the root
    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19818
        role 19790
          biological role 19788
            biochemical role 19501
              apoptosis inducer 13498
                entinostat 2521
                  pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19818
        subatomic particle 19816
          composite particle 19816
            hadron 19816
              baryon 19816
                nucleon 19816
                  atomic nucleus 19816
                    atom 19816
                      main group element atom 19761
                        p-block element atom 19761
                          carbon group element atom 19703
                            carbon atom 19698
                              organic molecular entity 19698
                                organic group 18905
                                  organic divalent group 18887
                                    organodiyl group 18887
                                      carbonyl group 18853
                                        carbonyl compound 18853
                                          carboxylic acid 18569
                                            carboacyl group 17687
                                              univalent carboacyl group 17687
                                                carbamoyl group 17531
                                                  carboxamide 17531
                                                    monocarboxylic acid amide 15585
                                                      arenecarboxamide 7324
                                                        benzamides 7324
                                                          entinostat 2521
                                                            pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
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