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

CHEMBL4778538

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
COc1cc(/C=C/c2ccccc2)c(C(=O)OC(C)C)c(O)c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778538
Phase Preclinical
Structure Type MOL
InChI Key KNODMKMCKSTPBG-OUKQBFOZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
5.65
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28O4
MW 380.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.88

Activity Summary

EC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.89 4.89 12930.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 12930.0 nM 4.89 Antiviral activity against HCV subtype 2a J6/JFH/JC1 infected in human Huh7.5 ce... 27783522

Literature References

PubMed DOI Target Context # Activities
27783522 10.1021/acs.jmedchem.6b01301 Unchecked 3

Data from ChEMBL 36 via Core Engine