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Compound Detail

CHEMBL1674

TELBIVUDINE 5'TRIPHOSPHATE
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Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL1674
Name TELBIVUDINE 5'TRIPHOSPHATE
Phase Preclinical
Structure Type MOL
InChI Key NHVNXKFIZYSCEB-CSMHCCOUSA-N

Known Names

Telbivudine 5'triphosphate
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

482.2
MW (Da)
-1.16
ALogP
11
HBA
6
HBD
244.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product
USAN Stem -vudine

Extended Properties

Molecular Formula C10H17N2O14P3
MW 482.17
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.13

Activity Summary

IC50 2 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.34 6.17 460.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 460.0 nM 6.34 Inhibition of HBV DNA polymerase 17404006
Unchecked IC50 = 1000.0 nM 6.0 Inhibition of duck HBV DNA polymerase 17404006

Literature References

PubMed DOI Target Context # Activities
17404006 10.1128/aac.00001-07 Unchecked 2

Data from ChEMBL 36 via Core Engine