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Compound Detail

CHEMBL607670

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Nc1nc(=O)c2c(ncn2C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL607670
Phase Preclinical
Structure Type MOL
InChI Key PQXXNVVBWVRCCL-VCGKEZLESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.2
MW (Da)
-3.33
ALogP
10
HBA
5
HBD
176.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N5O6
MW 311.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.03

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NS3
CHEMBL1293269
 IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NS3 IC50 = 12000.0 nM 4.92 Inhibitory concentration against hepatitis C virus helicase 15633995

Literature References

PubMed DOI Target Context # Activities
15633995 10.1021/jm0400101 NS3 1

Data from ChEMBL 36 via Core Engine