CHEBI:2453 - acyclovir

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ChEBI Name acyclovir
ChEBI ID CHEBI:2453
Definition An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40459
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Formula C8H11N5O3
Net Charge 0
Average Mass 225.20460
Monoisotopic Mass 225.086
InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChIKey MKUXAQIIEYXACX-UHFFFAOYSA-N
SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
antimetabolite
A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
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ChEBI Ontology
Outgoing acyclovir (CHEBI:2453) has functional parent guanine (CHEBI:16235)
acyclovir (CHEBI:2453) has role antimetabolite (CHEBI:35221)
acyclovir (CHEBI:2453) has role antiviral drug (CHEBI:36044)
acyclovir (CHEBI:2453) is a 2-aminopurines (CHEBI:20702)
acyclovir (CHEBI:2453) is a oxopurine (CHEBI:25810)
IUPAC Name
2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one
INNs Sources
aciclovir ChEBI
aciclovirum ChemIDplus
Synonym Source
acycloguanosine ChEBI
Brand Name Source
Zovir DrugBank
Database Links Databases
AC2 PDBeChem
Acyclovir Wikipedia
C06810 KEGG COMPOUND
D00222 KEGG DRUG
DB00787 DrugBank
DE2539963 Patent
HMDB14925 HMDB
LSM-5459 LINCS
US4199574 Patent
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Registry Numbers Types Sources
1219402 Reaxys Registry Number Reaxys
1219402 Beilstein Registry Number Beilstein
59277-89-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11687127 PubMed citation Europe PMC
11994034 PubMed citation Europe PMC
24346595 PubMed citation Europe PMC
26024233 PubMed citation Europe PMC
8308511 PubMed citation Europe PMC
Last Modified
25 February 2016