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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 chr18:54,472,587...54,490,913
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...244,590,578
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
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        antimicrobial agent 18104
          antiviral agent 11061
            anti-HIV agent 2718
              anti-HIV-1 agent 890
                HIV-1 integrase inhibitor 17
                  dolutegravir 10
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      carboacyl group 17675
                                        univalent carboacyl group 17675
                                          carbamoyl group 17524
                                            carboxamide 17547
                                              secondary carboxamide 1216
                                                dolutegravir 10
paths to the root