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Compound Detail

CHEMBL242825

DIMETHYLFERULENOL
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CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c2cc(C)c(C)cc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242825
Name DIMETHYLFERULENOL
Phase Preclinical
Structure Type MOL
InChI Key RIWDWNWMYOPQRP-NWLVNBMCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.6
MW (Da)
7.08
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34O3
MW 394.56
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.40

Activity Summary

IC50 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.47 6.47 340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 340.0 nM 6.47 Inhibition of rat microsomal VKER 17275317

Literature References

PubMed DOI Target Context # Activities
17275317 10.1016/j.bmc.2007.01.014 Unchecked 1

Data from ChEMBL 36 via Core Engine