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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 19808
        role 19784
          biological role 19782
            biochemical role 19496
              apoptosis inducer 13624
                entinostat 2521
                  pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19808
        subatomic particle 19806
          composite particle 19806
            hadron 19806
              baryon 19806
                nucleon 19806
                  atomic nucleus 19806
                    atom 19806
                      main group element atom 19756
                        p-block element atom 19756
                          carbon group element atom 19705
                            carbon atom 19702
                              organic molecular entity 19702
                                heteroorganic entity 19460
                                  organochalcogen compound 19224
                                    organooxygen compound 19141
                                      carbon oxoacid 18612
                                        carboxylic acid 18609
                                          carboacyl group 17677
                                            univalent carboacyl group 17677
                                              carbamoyl group 17526
                                                carboxamide 17526
                                                  monocarboxylic acid amide 15662
                                                    arenecarboxamide 8246
                                                      benzamides 8246
                                                        entinostat 2521
                                                          pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
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