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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:680C91
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Accession:CHEBI:131851 term browser browse the term
Definition:A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin.
Synonyms:exact_synonym: 6-fluoro-3-[(E)-2-(pyridin-3-yl)vinyl]-1H-indole
 related_synonym: Formula=C15H11FN2;   InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+;   InChIKey=YBSDQTBCNYWBMX-ONEGZZNKSA-N;   SMILES=C=1(C=CC2=C(C1)NC=C2/C=C/C=3C=NC=CC3)F
 xref: CAS:163239-22-3
 xref_mesh: MESH:C093792
 xref: PMID:7539265;   PMID:7617147;   PMID:8906241;   Reaxys:7640361


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680C91 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 multiple interactions ISO TDO inhibitor LM10 inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of CYP1A1 mRNA] CTD PMID:24930766 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
JBrowse link
G H2ax H2A.X variant histone decreases expression ISO TDO inhibitor LM10 results in decreased expression of H2AX protein modified form CTD PMID:26651356 NCBI chr 8:44,671,927...44,673,257
Ensembl chr 8:44,671,786...44,673,239
JBrowse link
G Polk DNA polymerase kappa decreases expression ISO TDO inhibitor LM10 results in decreased expression of POLK protein CTD PMID:26651356 NCBI chr 2:27,822,228...27,882,331
Ensembl chr 2:27,822,679...27,882,313
JBrowse link
G Tdo2 tryptophan 2,3-dioxygenase decreases activity ISO TDO inhibitor LM10 results in decreased activity of TDO2 protein CTD PMID:21726069 NCBI chr 2:167,269,581...167,287,511
Ensembl chr 2:167,269,579...167,287,511
JBrowse link

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  CHEBI ontology 19821
    chemical entity 19821
      atom 19819
        nonmetal atom 19707
          carbon atom 19630
            organic molecular entity 19630
              olefinic compound 15494
                680C91 4
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  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic molecule 19569
                              organic cyclic compound 19360
                                organic heterocyclic compound 18591
                                  organic heteropolycyclic compound 18064
                                    organic heterobicyclic compound 16868
                                      benzopyrrole 9559
                                        indoles 9231
                                          haloindole 4
                                            fluoroindole 4
                                              680C91 4
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