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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:XL765
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Accession:CHEBI:71958 term browser browse the term
Definition:A sulfonamide obtained by formal condensation of the sulfonic acid group of 4-[(3-methoxy-4-methylbenzoyl)amino]benzenesulfonic acid with the primary aromatic amino group of N-(3,5-dimethoxyphenyl)quinoxaline-2,3-diamine. A dual PI3K/mTOR inhibitor used in cancer treatment.
Synonyms:exact_synonym: N-[4-({3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamide
 related_synonym: Formula=C31H29N5O6S;   InChI=1S/C31H29N5O6S/c1-19-9-10-20(15-28(19)42-4)31(37)33-21-11-13-25(14-12-21)43(38,39)36-30-29(34-26-7-5-6-8-27(26)35-30)32-22-16-23(40-2)18-24(17-22)41-3/h5-18H,1-4H3,(H,32,34)(H,33,37)(H,35,36);   InChIKey=HJSSPYJVWLTYHG-UHFFFAOYSA-N;   SMILES=COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1;   XL-765
 xref: LINCS:LSM-1174
 xref_mesh: MESH:C576808
 xref: PMID:18959794;   PMID:18985183;   PMID:20191424;   PMID:21317208;   PMID:21678117;   PMID:22848094



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XL765 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Aldh5a1 aldehyde dehydrogenase 5 family, member A1 increases response to substance ISO ALDH5A1 gene mutant form results in increased susceptibility to XL765 CTD PMID:29031482 NCBI chr17:40,132,339...40,158,677
Ensembl chr17:40,130,883...40,158,677
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G Mtor mechanistic target of rapamycin kinase decreases activity ISO XL765 results in decreased activity of MTOR protein CTD PMID:29031482 NCBI chr 5:158,884,856...158,994,311
Ensembl chr 5:158,884,804...158,994,311
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19659
    role 19634
      application 19465
        pharmaceutical 19355
          drug 19355
            antineoplastic agent 17598
              XL765 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19659
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19700
                atom 19658
                  main group element atom 19607
                    p-block element atom 19607
                      carbon group element atom 19550
                        carbon atom 19547
                          organic molecular entity 19588
                            organic group 18752
                              organic divalent group 18771
                                organodiyl group 18737
                                  carbonyl group 18704
                                    carbonyl compound 18738
                                      carboxylic acid 18409
                                        carboacyl group 17570
                                          univalent carboacyl group 17599
                                            carbamoyl group 17407
                                              carboxamide 17407
                                                monocarboxylic acid amide 15526
                                                  arenecarboxamide 7306
                                                    benzamides 7313
                                                      XL765 2
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