Trade Names
Synonyms
Status
Molecule Category UNKNOWN
ATC J05AB09 S01AD07
UNII QIC03ANI02
EPA CompTox DTXSID0023038

Structure

InChI Key GGXKWVWZWMLJEH-UHFFFAOYSA-N
Smiles CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O
InChI
InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19N5O4
Molecular Weight 321.34
AlogP 0.54
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 122.22
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

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

Related Entries

Cross References

Resources Reference
ChEBI 4974
ChEMBL CHEMBL880
DrugBank DB00426
DrugCentral 1128
FDA SRS QIC03ANI02
Human Metabolome Database HMDB0014570
PharmGKB PA449585
PubChem 3324
SureChEMBL SCHEMBL2949
ZINC ZINC000001530635