General Information of Drug (ID: DM5I1CE)

Drug Name
Valacyclovir Hydrochloride
Indication
Disease Entry ICD 11 Status REF
Herpes simplex virus infection 1F00 Approved [1]
Therapeutic Class
Antiinfective Agents
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 360.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C13H21ClN6O4
IUPAC Name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate;hydrochloride
Canonical SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.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
InChIKey
ZCDDBUOENGJMLV-QRPNPIFTSA-N
Cross-matching ID
PubChem CID
135398741
ChEBI ID
CHEBI:9919
CAS Number
124832-27-5
TTD ID
D05MFA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30) TTIU7X1 DPOL_HHV11 Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.