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Compound Detail

CHEMBL4760003

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COC(=O)c1c(/C=C/c2ccccc2)cc(OC)c(CCC(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760003
Phase Preclinical
Structure Type MOL
InChI Key KRDHXBCRKFOWNS-VAWYXSNFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
4.95
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26O4
MW 354.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.64

Activity Summary

EC50 1 meas. best 4.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.49 4.49 32310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 32310.0 nM 4.49 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