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Compound Detail

CHEMBL388403

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O=C(/C=C/c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1O

Basic Information

ChEMBL ID CHEMBL388403
Phase Preclinical
Structure Type MOL
InChI Key NHZSHQQGZIMWIQ-MDWZMJQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.57
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18O4
MW 346.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.17

Activity Summary

IC50 1 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.54 4.54 28800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 28800.0 nM 4.54 Inhibition of IL5 in mouse Y16 cells at 50 uM 17064909

Literature References

PubMed DOI Target Context # Activities
17064909 10.1016/j.bmc.2006.10.007 Unchecked 2

Data from ChEMBL 36 via Core Engine