VIDARABINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1976)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J05AB03
UNII: 3XQD2MEW34

Structure
InChI Key OIRDTQYFTABQOQ-UHTZMRCNSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Human herpesvirus 1 DNA polymerase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 30000 -
Enzyme Lyase
- 82000 - - -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 62 - - -
Enzyme Transferase
- 50000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 103

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Herpes Simplex 3 D006561 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 24356-66-9
ChEBI 45327
ChEMBL CHEMBL1090
DrugBank DB00194
DrugCentral 2818
EPA CompTox DTXSID80873976
FDA SRS 3XQD2MEW34
Human Metabolome Database HMDB0014340
Guide to Pharmacology 4806
KEGG D06298
PDB RAB
PubChem 32326
SureChEMBL SCHEMBL110914
ZINC ZINC000000970363
CONTENTS