VIDARABINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J05AB03 S01AD06
UNII 3XQD2MEW34
EPA CompTox DTXSID80873976

Structure

InChI Key OIRDTQYFTABQOQ-UHTZMRCNSA-N
Smiles Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N5O4
Molecular Weight 267.25
AlogP -1.98
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 139.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Human herpesvirus 1 DNA polymerase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 62 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 90.86-103.09
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 90.86-103.09
Homo sapiens
- 62 - - 40

Related Entries

Cross References

Resources Reference
ChEBI 45327
ChEMBL CHEMBL1090
DrugBank DB00194
DrugCentral 2818
FDA SRS 3XQD2MEW34
Human Metabolome Database HMDB0014340
Guide to Pharmacology 4806
KEGG D06298
PDB RAB
PubChem 32326
SureChEMBL SCHEMBL110914
ZINC ZINC000000970363
CONTENTS