ACYCLOVIR


Trade Names	ACYCLOVIR AVACLYR SITAVIG ZOVIRAX
Synonyms	Aciclovir Aciclovirum Acycloguanosine Acyclovir Avaclyr Avert Aviral Clearsore Cyclovir Cymex ultra Duvimex Gerpevir Herpetad Lipsore Lypsyl NSC-645011 NSC-758477 Novirus Ranovir Sitavig Soothelip Soraway Viralief Virasorb Virovir 200 Virovir 400 Virovir 800 Zovirax
Status
Molecule Category	Free-form
UNII	X4HES1O11F
EPA CompTox	DTXSID1022556


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	MKUXAQIIEYXACX-UHFFFAOYSA-N
Smiles	Nc1nc2c(ncn2COCCO)c(=O)[nH]1
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)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C8H11N5O3
Molecular Weight	225.21
AlogP	-0.92
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	119.31
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	16.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action	Action	Reference
Human herpesvirus 1 DNA polymerase inhibitor	INHIBITOR	FDA

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Transferase	-	-	12589	91000	37
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	-2-106
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-

Related Entries

Environmental Exposure

Environmental Exposure Map

Countries
Germany
USA

Cross References

Resources	Reference
ChEBI	2453
ChEMBL	CHEMBL184
DrugBank	DB00787
DrugCentral	85
FDA SRS	X4HES1O11F
Human Metabolome Database	HMDB0014925
Guide to Pharmacology	4829
KEGG	C06810
PDB	AC2
PharmGKB	PA448045
PubChem	135398513
SureChEMBL	SCHEMBL3175
ZINC	ZINC000001530555

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).