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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:abacavir
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Accession:CHEBI:421707 term browser browse the term
Definition:A 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection.
Synonyms:exact_synonym: {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
 related_synonym: ABC;   Formula=C14H18N6O;   InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1;   InChIKey=MCGSCOLBFJQGHM-SCZZXKLOSA-N;   SMILES=C=12N(C=NC1C(NC3CC3)=NC(=N2)N)[C@H]4C=C[C@H](C4)CO;   {(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
 alt_id: CHEBI:193608;   CHEBI:2360;   CHEBI:441792;   CHEBI:520984;   CHEBI:525912;   MESH:C106538
 xref: Beilstein:7493116;   CAS:136470-78-5;   DrugBank:DB01048;   Drug_Central:34;   KEGG:C07624;   KEGG:D07057
 xref_mesh: MESH:C106538
 xref: PMID:11678376;   PMID:11806176;   PMID:12781181;   PMID:15887959;   PMID:16458506;   PMID:16539393;   PMID:16759112;   PMID:17172311;   PMID:17870541;   PMID:18029175;   PMID:18549801;   PMID:24751900;   PMID:25017682;   PMID:25674793;   PMID:26024233;   Reaxys:7493116;   Wikipedia:Abacavir


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abacavir term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcg2 ATP binding cassette subfamily G member 2 multiple interactions
decreases export
increases export
ISO [Estradiol results in decreased activity of ABCG2 protein] which results in increased uptake of abacavir; [isopropyl 5,12-hydroxypentadeca-8,10-dien-6,14-diynoate results in decreased activity of ABCG2 protein] which results in increased uptake of abacavir
ABCG2 protein results in decreased export of abacavir
ABCG2 protein results in increased export of abacavir
3-(6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2'-1,6)pyrido(3,4-b)indol-3-yl)propionic acid tert-butyl ester inhibits the reaction [ABCG2 protein results in increased export of abacavir]; Elacridar inhibits the reaction [ABCG2 protein results in decreased export of abacavir]; Elacridar inhibits the reaction [ABCG2 protein results in increased export of abacavir]; Nelfinavir inhibits the reaction [ABCG2 protein results in increased export of abacavir]; pluronic block copolymer p85 inhibits the reaction [ABCG2 protein results in increased export of abacavir]
CTD PMID:17437964 PMID:19056916 PMID:25844889 NCBI chr 4:88,765,441...88,890,268
Ensembl chr 4:88,832,178...88,890,621
JBrowse link
G Alb albumin affects binding
multiple interactions
ISO abacavir binds to ALB protein
abacavir inhibits the reaction [Heme binds to ALB protein]; Heme inhibits the reaction [abacavir binds to ALB protein]
CTD PMID:15814459 PMID:16336266 NCBI chr14:19,176,275...19,191,793
Ensembl chr14:19,176,277...19,191,863
JBrowse link
G Aldh1a2 aldehyde dehydrogenase 1 family, member A2 decreases expression ISO abacavir results in decreased expression of ALDH1A2 mRNA CTD PMID:31711903 NCBI chr 8:77,640,234...77,719,488
Ensembl chr 8:77,640,222...77,719,489
JBrowse link
G Crp C-reactive protein increases expression ISO abacavir results in increased expression of CRP protein CTD PMID:19891054 NCBI chr13:91,080,448...91,081,358
Ensembl chr13:91,054,974...91,093,713
JBrowse link
G Eya1 EYA transcriptional coactivator and phosphatase 1 decreases expression ISO abacavir results in decreased expression of EYA1 mRNA CTD PMID:31711903 NCBI chr 5:4,275,728...4,495,525
Ensembl chr 5:4,373,626...4,513,142
JBrowse link
G Fgf8 fibroblast growth factor 8 increases expression ISO abacavir results in increased expression of FGF8 mRNA CTD PMID:31711903 NCBI chr 1:265,492,949...265,498,965
Ensembl chr 1:265,493,124...265,498,831
JBrowse link
G Foxc2 forkhead box C2 decreases expression ISO abacavir results in decreased expression of FOXC2 mRNA CTD PMID:31711903 NCBI chr19:53,044,379...53,047,081
Ensembl chr19:53,044,379...53,047,081
JBrowse link
G Gfap glial fibrillary acidic protein increases expression ISO abacavir results in increased expression of GFAP protein CTD PMID:19358275 NCBI chr10:90,990,762...90,999,435
Ensembl chr10:90,990,762...90,999,506
JBrowse link
G Hoxb7 homeo box B7 increases expression ISO abacavir results in increased expression of HOXB7 mRNA CTD PMID:31711903 NCBI chr10:84,135,224...84,138,642
Ensembl chr10:84,135,116...84,138,637
JBrowse link
G Hoxb9 homeo box B9 increases expression ISO abacavir results in increased expression of HOXB9 mRNA CTD PMID:31711903 NCBI chr10:84,119,772...84,124,963
Ensembl chr10:84,119,884...84,123,390
JBrowse link
G Ifng interferon gamma multiple interactions ISO [HLA-B protein polymorphism results in increased susceptibility to abacavir] which results in increased secretion of IFNG protein CTD PMID:23541086 NCBI chr 7:61,337,383...61,341,419
Ensembl chr 7:61,337,381...61,341,419
JBrowse link
G Il13 interleukin 13 multiple interactions ISO [HLA-B protein polymorphism results in increased susceptibility to abacavir] which results in increased secretion of IL13 protein CTD PMID:23541086 NCBI chr10:38,982,909...38,985,466
Ensembl chr10:38,982,909...38,985,466
JBrowse link
G Il4 interleukin 4 affects response to substance ISO IL4 protein affects the susceptibility to abacavir CTD PMID:15867870 NCBI chr10:38,963,979...38,969,531
Ensembl chr10:38,963,979...38,969,531
JBrowse link
G Meox1 mesenchyme homeobox 1 decreases expression ISO abacavir results in decreased expression of MEOX1 mRNA CTD PMID:31711903 NCBI chr10:89,797,011...89,817,009
Ensembl chr10:89,797,038...89,816,491
JBrowse link
G Mesp2 mesoderm posterior bHLH transcription factor 2 decreases expression ISO abacavir results in decreased expression of MESP2 mRNA CTD PMID:31711903 NCBI chr 1:141,550,633...141,553,239
Ensembl chr 1:141,550,633...141,553,230
JBrowse link
G Mmp9 matrix metallopeptidase 9 increases expression ISO abacavir results in increased expression of MMP9 protein CTD PMID:19891054 NCBI chr 3:161,413,410...161,421,473
Ensembl chr 3:161,413,298...161,421,520
JBrowse link
G Mpo myeloperoxidase increases expression ISO abacavir results in increased expression of MPO protein CTD PMID:19891054 NCBI chr10:75,087,892...75,098,260
Ensembl chr10:75,087,892...75,098,260
JBrowse link
G Neurog2 neurogenin 2 increases expression ISO abacavir results in increased expression of NEUROG2 mRNA CTD PMID:31711903 NCBI chr 2:231,962,517...231,963,441
Ensembl chr 2:231,962,517...231,963,308
JBrowse link
G Olig3 oligodendrocyte transcription factor 3 increases expression ISO abacavir results in increased expression of OLIG3 mRNA CTD PMID:31711903 NCBI chr 1:14,797,766...14,799,835
Ensembl chr 1:14,797,766...14,799,835
JBrowse link
G Pax3 paired box 3 decreases expression ISO abacavir results in decreased expression of PAX3 mRNA CTD PMID:31711903 NCBI chr 9:84,004,004...84,101,226
Ensembl chr 9:84,005,183...84,101,172
JBrowse link
G Pax6 paired box 6 increases expression ISO abacavir results in increased expression of PAX6 mRNA CTD PMID:31711903 NCBI chr 3:95,700,241...95,728,682
Ensembl chr 3:95,707,386...95,728,624
JBrowse link
G Slc22a1 solute carrier family 22 member 1 multiple interactions ISO [Quinine results in decreased activity of SLC22A1] which results in decreased uptake of abacavir CTD PMID:25844889 NCBI chr 1:48,273,639...48,300,645
Ensembl chr 1:48,273,611...48,300,655
JBrowse link
G Syp synaptophysin increases expression ISO abacavir results in increased expression of SYP protein CTD PMID:19358275 NCBI chr  X:15,694,699...15,709,244
Ensembl chr  X:15,695,566...15,707,436
JBrowse link
G Tcf15 transcription factor 15 decreases expression ISO abacavir results in decreased expression of TCF15 mRNA CTD PMID:31711903 NCBI chr 3:147,643,250...147,649,511
Ensembl chr 3:147,643,250...147,649,504
JBrowse link
G Tert telomerase reverse transcriptase decreases activity ISO abacavir results in decreased activity of TERT protein CTD PMID:19358275 NCBI chr 1:32,250,876...32,275,330
Ensembl chr 1:32,251,714...32,272,476
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO [HLA-B protein polymorphism results in increased susceptibility to abacavir] which results in increased secretion of TNF protein CTD PMID:23541086 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
Ensembl chr20:5,189,390...5,192,000
JBrowse link
G Ucp1 uncoupling protein 1 increases expression ISO abacavir results in increased expression of UCP1 mRNA CTD PMID:14518702 NCBI chr19:24,456,976...24,464,808
Ensembl chr19:24,456,976...24,464,807
JBrowse link
G Uncx UNC homeobox decreases expression ISO abacavir results in decreased expression of UNCX mRNA CTD PMID:31711903 NCBI chr12:17,182,158...17,186,679
Ensembl chr12:17,182,163...17,186,679
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19773
    role 19719
      biological role 19719
        antimicrobial agent 17376
          antiviral agent 10296
            antiviral drug 1850
              abacavir 28
                6-de(cyclopropylamino)-6-(2,2-dimethylazetidin-1-yl)abacavir 0
                6-de(cyclopropylamino)-6-(2-methylazetidin-1-yl)abacavir 0
                6-de(cyclopropylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)abacavir 0
                6-de(cyclopropylamino)-6-(3-fluoroazetidin-1-yl)abacavir 0
                6-de(cyclopropylamino)-6-(3-isopropoxyazetidin-1-yl)abacavir 0
                6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir 0
                6-de(cyclopropylamino)-6-(azetidin-1-yl)abacavir 0
                6-de(cyclopropylamino)-6-(isobutylamino)abacavir 0
                6-de(cyclopropylamino)-6-(isopropylamino)abacavir 0
                6-de(cyclopropylamino)-6-[(S)-sec-butylamino]abacavir 0
                abacavir 5'-carboxylic acid 0
                abacavir 5'-glucuronide 0
                abacavir monophosphate 0
                abacavir sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19579
                        carbon atom 19569
                          organic molecular entity 19569
                            organic molecule 19502
                              organic cyclic compound 19329
                                organic heterocyclic compound 18544
                                  organic heteropolycyclic compound 18035
                                    organic heterobicyclic compound 16783
                                      imidazopyrimidine 5609
                                        purines 5607
                                          aminopurine 4425
                                            2,6-diaminopurines 34
                                              abacavir 28
                                                6-de(cyclopropylamino)-6-(2,2-dimethylazetidin-1-yl)abacavir 0
                                                6-de(cyclopropylamino)-6-(2-methylazetidin-1-yl)abacavir 0
                                                6-de(cyclopropylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)abacavir 0
                                                6-de(cyclopropylamino)-6-(3-fluoroazetidin-1-yl)abacavir 0
                                                6-de(cyclopropylamino)-6-(3-isopropoxyazetidin-1-yl)abacavir 0
                                                6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir 0
                                                6-de(cyclopropylamino)-6-(azetidin-1-yl)abacavir 0
                                                6-de(cyclopropylamino)-6-(isobutylamino)abacavir 0
                                                6-de(cyclopropylamino)-6-(isopropylamino)abacavir 0
                                                6-de(cyclopropylamino)-6-[(S)-sec-butylamino]abacavir 0
                                                abacavir 5'-carboxylic acid 0
                                                abacavir 5'-glucuronide 0
                                                abacavir monophosphate 0
                                                abacavir sulfate 0
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