EcoDrugPlus


Synonyms	Valaciclovir Valacv Valacyclovir Valtrex Zelitrex
Status
Molecule Category	Free-form
UNII	MZ1IW7Q79D
EPA CompTox	DTXSID1023732


InChI Key	HDOVUKNUBWVHOX-QMMMGPOBSA-N
Smiles	CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21
InChI	InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1

Property Name	Value
Molecular Formula	C13H20N6O4
Molecular Weight	324.34
AlogP	-0.8
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	151.14
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	23.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	-7.3-8.3

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	-7.3-8.3

Resources	Reference
ChEBI	35854
ChEMBL	CHEMBL1349
DrugBank	DB00577
DrugCentral	2798
FDA SRS	MZ1IW7Q79D
Human Metabolome Database	HMDB0014716
Guide to Pharmacology	4824
PDB	TXC
PharmGKB	PA451839
PubChem	135398742
SureChEMBL	SCHEMBL28644
ZINC	ZINC000001530713

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

VALACYCLOVIR

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Physicochemical Descriptors

Pharmacology

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