ACYCLOVIR


Trade Names	ACYCLOVIR AVACLYR SITAVIG ZOVIRAX
Synonyms	Aciclovir Aciclovirum Acycloguanosine Acyclovir Avaclyr Avert Aviral Clearsore Cyclovir Cymex ultra Duvimex Gerpevir Herpetad Lipsore Lypsyl
Status
Molecule Category	Free-form
UNII	X4HES1O11F
EPA CompTox	DTXSID1022556


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)

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

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	-	-	-	-	37-79
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	-15.2-105.48
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Chlorocebus sabaeus	-	100	-	-	-
Cricetulus griseus	-	-	-	-	103.39-105.48
Hepatitis B virus	20	-	-	-	-
Herpes simplex virus (type 1 / strain F)	500-660	410	-	-	-
Herpes simplex virus (type 1 / strain SC16)	-	390	-	-	-
Homo sapiens	40-320	110-780	-	-	-15.2-2.3
Human alphaherpesvirus 1	900-900	-	-	-	-
Human alphaherpesvirus 1 strain F	-	150-410	-	-	-
Human alphaherpesvirus 1 strain KOS	600	-	-	-	-
Human alphaherpesvirus 2	900-990	-	-	-	-
Human alphaherpesvirus 3	9-490	-	-	-	-
Human herpesvirus 1	11-950	0.00475-990	-	-	0-100
Human herpesvirus 1 strain KOS	70-800	600	-	-	-
Human herpesvirus 2	100-950	0.00311-400	-	-	60.6-66.3
Human herpesvirus 2 strain G	80-700	-	-	-	-
Human herpesvirus 3	30-900	-	-	-	-
Human herpesvirus 3 strain Oka vaccine	26-800	-	-	-	-
Human herpesvirus 4	330	-	-	-	-
Human herpesvirus 5	510	-	-	-	-
Vaccinia virus	-	384	-	-	-
herpes simplex virus	900	-	-	-	-
herpes simplex virus-2	-	-	-	-	34

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Countries
Germany
USA

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

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

ACYCLOVIR

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Pharmacology

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