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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | abacavir | |
| Synonyms |
{(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol abacavir ABC {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol Abacavir |
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| Definitions |
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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_421707 |
|
| charge |
0
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| database_cross_reference |
PMID:11806176 PMID:15887959 PMID:18029175 PMID:11678376 PMID:16458506 PMID:25017682 Drug_Central:34 PMID:16759112 PMID:12781181 KEGG:D07057 PMID:26024233 PMID:17172311 PMID:25674793 PMID:24751900 PMID:17870541 PMID:16539393 PMID:18549801 Reaxys:7493116 Beilstein:7493116 CAS:136470-78-5 KEGG:C07624 Wikipedia:Abacavir DrugBank:DB01048
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|
| 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.
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| formula |
C14H18N6O
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| has role |
http://purl.obolibrary.org/obo/CHEBI_53756 |
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| has_alternative_id |
CHEBI:520984 CHEBI:441792 CHEBI:525912 CHEBI:2360 CHEBI:193608
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| has_exact_synonym |
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol Abacavir
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
{(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol abacavir ABC
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|
| id |
CHEBI:421707
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| in_subset | ||
| 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
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|
| inchikey |
MCGSCOLBFJQGHM-SCZZXKLOSA-N
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|
| label |
abacavir
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|
| mass |
286.339
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|
| monoisotopicmass |
286.15421
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|
| notation |
CHEBI:421707
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|
| prefLabel |
abacavir
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|
| smiles |
C=12N(C=NC1C(NC3CC3)=NC(=N2)N)[C@H]4C=C[C@H](C4)CO
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| treeView | ||
| subClassOf |
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