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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 19918
        role 19894
          biological role 19892
            biochemical role 19588
              apoptosis inducer 13641
                entinostat 2521
                  pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19918
        subatomic particle 19916
          composite particle 19916
            hadron 19916
              baryon 19916
                nucleon 19916
                  atomic nucleus 19916
                    atom 19916
                      main group element atom 19866
                        p-block element atom 19866
                          carbon group element atom 19811
                            carbon atom 19806
                              organic molecular entity 19806
                                organic group 18995
                                  organic divalent group 18969
                                    organodiyl group 18969
                                      carbonyl group 18922
                                        carbonyl compound 18922
                                          carboxylic acid 18646
                                            carboacyl group 17727
                                              univalent carboacyl group 17727
                                                carbamoyl group 17575
                                                  carboxamide 17575
                                                    monocarboxylic acid amide 15699
                                                      arenecarboxamide 8255
                                                        benzamides 8255
                                                          entinostat 2521
                                                            pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
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