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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 19860
        role 19832
          biological role 19830
            biochemical role 19538
              apoptosis inducer 13657
                entinostat 2520
                  pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19860
        subatomic particle 19858
          composite particle 19858
            hadron 19858
              baryon 19858
                nucleon 19858
                  atomic nucleus 19858
                    atom 19858
                      main group element atom 19804
                        p-block element atom 19804
                          carbon group element atom 19745
                            carbon atom 19741
                              organic molecular entity 19741
                                heteroorganic entity 19494
                                  organochalcogen compound 19257
                                    organooxygen compound 19173
                                      carbon oxoacid 18641
                                        carboxylic acid 18638
                                          carboacyl group 17705
                                            univalent carboacyl group 17705
                                              carbamoyl group 17556
                                                carboxamide 17556
                                                  monocarboxylic acid amide 15688
                                                    arenecarboxamide 8259
                                                      benzamides 8259
                                                        entinostat 2520
                                                          pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
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