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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:dolutegravir
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Accession:CHEBI:76010 term browser browse the term
Definition:A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (4R,12aS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid with the amino group of 2,4-difluorobenzylamine. Used (as its sodium salt) for treatment of HIV-1.
Synonyms:exact_synonym: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
 related_synonym: Formula=C20H19F2N3O5;   InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1;   InChIKey=RHWKPHLQXYSBKR-BMIGLBTASA-N;   S/GSK1349572;   SMILES=C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12
 xref: CAS:1051375-16-6;   Drug_Central:4805;   KEGG:D10066
 xref_mesh: MESH:C562325
 xref: PDBeChem:DLU;   PMID:22018760;   PMID:22205735;   PMID:22878423;   PMID:22905856;   PMID:23075918;   PMID:23132334;   PMID:23225901;   PMID:23295935;   PMID:23306000;   PMID:23413040;   PMID:23432922;   PMID:23455469;   PMID:23669385;   PMID:23777012;   PMID:23798668;   PMID:23807273;   PMID:23817375;   PMID:23824675;   PMID:23830355;   PMID:23845180;   PMID:23885999;   PMID:23942060;   PMID:24052331;   PMID:24074642;   PMID:24096683;   Patent:EP2602260;   Patent:WO2006116764;   Reaxys:12732602;   Wikipedia:Dolutegravir
 cyclic_relationship: is_conjugate_acid_of CHEBI:76014



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dolutegravir 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 dolutegravir 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 Cdx1 caudal type homeo box 1 decreases expression ISO dolutegravir results in decreased expression of CDX1 mRNA CTD PMID:34515794 NCBI chr18:54,472,448...54,499,799
Ensembl chr18:54,473,444...54,490,814
JBrowse link
G Cyp26a1 cytochrome P450, family 26, subfamily a, polypeptide 1 decreases expression
increases expression
ISO dolutegravir results in decreased expression of CYP26A1 mRNA
dolutegravir 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 dolutegravir 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 Hoxb1 homeo box B1 increases expression ISO dolutegravir results in increased expression of HOXB1 mRNA CTD PMID:34515794 NCBI chr10:81,331,507...81,332,928
Ensembl chr10:81,331,507...81,332,836
JBrowse link
G Hoxb9 homeo box B9 decreases expression ISO dolutegravir results in decreased expression of HOXB9 mRNA CTD PMID:34515794 NCBI chr10:81,237,312...81,240,818
Ensembl chr10:81,237,312...81,240,818
JBrowse link
G Meox1 mesenchyme homeobox 1 decreases expression ISO dolutegravir results in decreased expression of MEOX1 mRNA CTD PMID:34515794 NCBI chr10:86,818,450...86,837,563
Ensembl chr10:86,818,478...86,837,660
JBrowse link
G Mesp2 mesoderm posterior bHLH transcription factor 2 increases expression ISO dolutegravir results in increased expression of MESP2 mRNA CTD PMID:34515794 NCBI chr 1:133,756,601...133,759,207
Ensembl chr 1:133,756,601...133,759,198
JBrowse link
G Mixl1 Mix paired-like homeobox 1 increases expression ISO dolutegravir 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
G Tbx6 T-box transcription factor 6 increases expression ISO dolutegravir results in increased expression of TBX6 mRNA CTD PMID:34515794 NCBI chr 1:181,387,851...181,392,762
Ensembl chr 1:181,388,684...181,392,593
JBrowse link

Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 20056
    role 20008
      biological role 20007
        antimicrobial agent 17793
          antiviral agent 10476
            anti-HIV agent 1276
              anti-HIV-1 agent 869
                HIV-1 integrase inhibitor 16
                  dolutegravir 10
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic group 18961
                              organic divalent group 18947
                                organodiyl group 18947
                                  carbonyl group 18900
                                    carbonyl compound 18900
                                      carboxylic acid 18594
                                        carboacyl group 17706
                                          univalent carboacyl group 17706
                                            carbamoyl group 17546
                                              carboxamide 17546
                                                secondary carboxamide 546
                                                  dolutegravir 10
paths to the root