TELBIVUDINE

Search structure
Synonyms:
Status: Approved (2006)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J05AF11
UNII: 2OC4HKD3SF

Structure
InChI Key IQFYYKKMVGJFEH-CSMHCCOUSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR DNA polymerase/reverse transcriptase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Slow voltage-gated potassium channel accessory protein family
- 251188.64 - - -
Enzyme Transferase
- - - - 0.6924
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -1.24-9.2
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 5011872.34-158489319.25 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 713900 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 3162277.66 - - -
Structural protein
819.4 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis B, Chronic 4 D019694 ClinicalTrials
Hepatitis 3 D006505 ClinicalTrials
Liver Cirrhosis 3 D008103 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 63624
ChEMBL CHEMBL374731
DrugBank DB01265
DrugCentral 4220
EPA CompTox DTXSID30187813
FDA SRS 2OC4HKD3SF
Human Metabolome Database HMDB15394
PDB LLT
PharmGKB PA164760861
PubChem 159269
SureChEMBL SCHEMBL124279
ZINC ZINC000000002159
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