TELBIVUDINE

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Synonyms
Status
Molecule Category Free-form
ATC J05AF11
UNII 2OC4HKD3SF
EPA CompTox DTXSID30187813

Structure

InChI Key IQFYYKKMVGJFEH-CSMHCCOUSA-N
Smiles Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O
InChI
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O5
Molecular Weight 242.23
AlogP -1.51
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 104.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
DNA polymerase/reverse transcriptase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Structural protein
819.4 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis B virus
569-819.4 - - - -

Cross References

Resources Reference
CAS NUMBER 3424-98-4
ChEBI 63624
ChEMBL CHEMBL374731
DrugBank DB01265
DrugCentral 4220
FDA SRS 2OC4HKD3SF
Human Metabolome Database HMDB0015394
PDB LLT
PharmGKB PA164760861
SureChEMBL SCHEMBL124279
ZINC ZINC000000002159
CONTENTS