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Compound Detail

CHEMBL609666

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C[C@]1(O)C(n2cc(C(=N)NO)c3c(O)ncnc32)O[C@H](CO)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609666
Phase Preclinical
Structure Type MOL
InChI Key DKTMQVMHVLZHNX-XNBWUHACSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
-1.56
ALogP
10
HBA
7
HBD
177.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N5O6
MW 339.31
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.92

Activity Summary

EC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 100000.0 nM 4.0 Antiviral activity against hepatitis C virus; range 0.5-100 uM; (a) 15664845

Literature References

PubMed DOI Target Context # Activities
15664845 10.1016/j.bmcl.2004.11.019 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine