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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Definition:A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration).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

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19740
    chemical entity 19738
      atom 19738
        nonmetal atom 19678
          carbon atom 19627
            organic molecular entity 19627
              olefinic compound 16890
                680C91 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19740
    subatomic particle 19738
      composite particle 19738
        hadron 19738
          baryon 19738
            nucleon 19738
              atomic nucleus 19738
                atom 19738
                  main group element atom 19686
                    p-block element atom 19686
                      carbon group element atom 19631
                        carbon atom 19627
                          organic molecular entity 19627
                            organic molecule 19587
                              organic cyclic compound 19393
                                organic heterocyclic compound 18766
                                  organic heteropolycyclic compound 18254
                                    organic heterobicyclic compound 17226
                                      benzopyrrole 9603
                                        indoles 9275
                                          haloindole 4
                                            fluoroindole 4
                                              680C91 4
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