Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4543054

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cn1ccc2c3c(Cl)ncnc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c21

Basic Information

ChEMBL ID CHEMBL4543054
Phase Preclinical
Structure Type MOL
InChI Key VSBOLXQZHXWORC-AKAIJSEGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

338.8
MW (Da)
0.19
ALogP
8
HBA
3
HBD
105.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15ClN4O4
MW 338.75
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.38

Activity Summary

EC50 1 meas. best 4.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
EC50 4.44 4.44 36440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 36440.0 nM 4.44 Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-l... 30281308

Literature References

Data from ChEMBL 36 via Core Engine