VALACYCLOVIR HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII G447S0T1VC
EPA CompTox DTXSID2044210
Parent Compound: VALACYCLOVIR

Structure

InChI Key ZCDDBUOENGJMLV-QRPNPIFTSA-N
Smiles CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21.Cl
InChI
InChI=1S/C13H20N6O4.ClH/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);1H/t8-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21ClN6O4
Molecular Weight 360.8
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

Pharmacology

Mechanism of Action Action Reference
Human herpesvirus 1 DNA polymerase inhibitor INHIBITOR FDA
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
- - - - 68.57-80.91
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 68.57-80.91

Cross References

Resources Reference
ChEBI 9919
ChEMBL CHEMBL1201110
FDA SRS G447S0T1VC
Guide to Pharmacology 4824
KEGG C07184
PubChem 135398741
SureChEMBL SCHEMBL40830
ZINC ZINC01530713
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