CHEBI:421707 - abacavir

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name abacavir
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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:441792, CHEBI:2360, CHEBI:193608, CHEBI:520984, CHEBI:525912
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Formulae C14H18N6O
Net Charge 0
Average Mass 286.339
Monoisotopic Mass 286.15421
InChI 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
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
HIV-1 reverse transcriptase inhibitor
An entity which inhibits the activity of HIV-1 reverse transcriptase.
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing abacavir (CHEBI:421707) has role antiviral drug (CHEBI:36044)
abacavir (CHEBI:421707) has role drug allergen (CHEBI:88188)
abacavir (CHEBI:421707) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
abacavir (CHEBI:421707) is a 2,6-diaminopurines (CHEBI:38001)
Incoming 6-de(cyclopropylamino)-6-(2,2-dimethylazetidin-1-yl)abacavir (CHEBI:149430) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(2-methylazetidin-1-yl)abacavir (CHEBI:149426) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(3-fluoroazetidin-1-yl)abacavir (CHEBI:149434) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(3-isopropoxyazetidin-1-yl)abacavir (CHEBI:149432) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir (CHEBI:149435) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(azetidin-1-yl)abacavir (CHEBI:149431) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(isobutylamino)abacavir (CHEBI:149437) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(isopropylamino)abacavir (CHEBI:149439) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-[(S)-sec-butylamino]abacavir (CHEBI:149438) has functional parent abacavir (CHEBI:421707)
abacavir 5'-carboxylic acid (CHEBI:64192) has functional parent abacavir (CHEBI:421707)
abacavir 5'-glucuronide (CHEBI:64189) has functional parent abacavir (CHEBI:421707)
abacavir monophosphate (CHEBI:64112) has functional parent abacavir (CHEBI:421707)
abacavir sulfate (CHEBI:2361) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)abacavir (CHEBI:149436) is a abacavir (CHEBI:421707)
INN Source
abacavir ChemIDplus
Synonyms Sources
{(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol ChEBI
Manual Xrefs Databases
34 DrugCentral
Abacavir Wikipedia
DB01048 DrugBank
View more database links
Registry Numbers Types Sources
136470-78-5 CAS Registry Number ChemIDplus
7493116 Beilstein Registry Number Beilstein
7493116 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11678376 PubMed citation Europe PMC
11806176 PubMed citation Europe PMC
12781181 PubMed citation ChEMBL
15887959 PubMed citation ChEMBL
16458506 PubMed citation ChEMBL
16539393 PubMed citation ChEMBL
16759112 PubMed citation ChEMBL
17172311 PubMed citation ChEMBL
17870541 PubMed citation ChEMBL
18029175 PubMed citation ChEMBL
18549801 PubMed citation Europe PMC
24751900 PubMed citation Europe PMC
25017682 PubMed citation Europe PMC
25674793 PubMed citation Europe PMC
26024233 PubMed citation Europe PMC
Last Modified
09 April 2020