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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:bictegravir
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Accession:CHEBI:172943 term browser browse the term
Definition:A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2R,5S,13aR)-8-hydroxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid with the amino group of 2,4,6-trifluorobenzylamine. It is a second-generation integrase strand transfer inhibitor (INSTI) and used (as its sodium salt) for the treatment of HIV-1.
Synonyms:exact_synonym: (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide
 related_synonym: Formula=C21H18F3N3O5;   GS-9883;   GS-9883-01;   InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1;   InChIKey=SOLUWJRYJLAZCX-LYOVBCGYSA-N;   SMILES=[H][C@@]12CC[C@@]([H])(C1)N1C(=O)C3=C(O)C(=O)C(=CN3C[C@@]1([H])O2)C(=O)NCC1=C(F)C=C(F)C=C1F;   bictegravirum
 xref: CAS:1611493-60-7;   Chemspider:44208822;   DrugBank:DB11799;   KEGG:D10909
 xref_mesh: MESH:C000620396
 xref: PDBeChem:KLQ;   PMCID:PMC7776652;   PMCID:PMC7777652;   PMID:27645238;   PMID:28196003;   PMID:29746268;   PMID:31840682;   PMID:32001521;   PMID:32001525;   PMID:32041480;   PMID:32623580;   PMID:32668455;   PMID:32693738;   PMID:32796211;   PMID:32862660;   PMID:32868324;   PMID:32945851;   PMID:33105171;   PMID:33202006;   PMID:33280486;   PMID:33390993;   PMID:33511239;   PMID:33521960;   PMID:33526487;   PMID:33626178;   PMID:33649107;   PMID:33686573;   PMID:33729482;   PMID:33880558;   PMID:33977505;   Wikipedia:Bictegravir
 cyclic_relationship: is_conjugate_acid_of CHEBI:172960



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bictegravir term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Aldh1a2 aldehyde dehydrogenase 1 family, member A2 decreases expression ISO bictegravir results in decreased expression of ALDH1A2 mRNA CTD PMID:34515794 NCBI chr 8:71,877,850...71,957,107
Ensembl chr 8:71,877,850...71,957,107
JBrowse link
G Cyp26a1 cytochrome P450, family 26, subfamily a, polypeptide 1 increases expression ISO bictegravir results in increased expression of CYP26A1 mRNA CTD PMID:34515794 NCBI chr 1:235,471,368...235,475,204
Ensembl chr 1:235,471,298...235,475,204
JBrowse link
G Fgf8 fibroblast growth factor 8 increases expression ISO bictegravir results in increased expression of FGF8 mRNA CTD PMID:34515794 NCBI chr 1:244,584,477...244,590,359
Ensembl chr 1:244,584,652...244,590,359
JBrowse link
G Mixl1 Mix paired-like homeobox 1 increases expression ISO bictegravir results in increased expression of MIXL1 mRNA CTD PMID:34515794 NCBI chr13:92,422,031...92,426,065
Ensembl chr13:92,422,031...92,426,065
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        antimicrobial agent 17818
          antiviral agent 10485
            anti-HIV agent 1279
              anti-HIV-1 agent 873
                HIV-1 integrase inhibitor 16
                  bictegravir 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      carboxylic acid 18597
                                        carboacyl group 17730
                                          univalent carboacyl group 17710
                                            carbamoyl group 17550
                                              carboxamide 17570
                                                secondary carboxamide 546
                                                  bictegravir 4
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