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Compound Detail

CHEMBL610571

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CONc1ncnc2c1c(C(=N)NO)cn2C1O[C@H](CO)[C@@H](O)[C@@]1(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL610571
Phase Preclinical
Structure Type MOL
InChI Key QJVMEOJWAPNKCR-NUTGARJGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
-1.29
ALogP
11
HBA
7
HBD
178.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N6O6
MW 368.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.88

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