aciclovir   Click here for help

GtoPdb Ligand ID: 4829

Synonyms: acyclovir | Zovirax®
Approved drug PDB Ligand
aciclovir is an approved drug (FDA (1982, prior history not available))
Compound class: Synthetic organic
Comment: Aciclovir is a nucleoside analogue antiviral drug.
Aciclovir is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 119.05
Molecular weight 225.09
XLogP -0.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCOCn1cnc2c1nc(N)[nH]c2=O
Isomeric SMILES OCCOCn1cnc2c1nc(N)[nH]c2=O
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)
InChI Key MKUXAQIIEYXACX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1982, prior history not available))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
International Nonproprietary Names Click here for help
INN number INN
4435 aciclovir
Synonyms Click here for help
acyclovir | Zovirax®
Database Links Click here for help
CAS Registry No. 59277-89-3 (source: Scifinder)
ChEMBL Ligand CHEMBL184
DrugBank Ligand DB00787
DrugCentral Ligand 85
GtoPdb PubChem SID 178101531
PubChem CID 135398513
RCSB PDB Ligand AC2
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Wikipedia Aciclovir

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Acyclovir
Cat. No. 2513