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Compound Detail

CHEMBL224890

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O=C(/C=C/c1ccccc1)c1c(O)cccc1OCC1CCCCC1

Basic Information

ChEMBL ID CHEMBL224890
Phase Preclinical
Structure Type MOL
InChI Key GPGIIDSQQQXQHW-CCEZHUSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
5.25
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24O3
MW 336.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.10

Activity Summary

IC50 1 meas. best 4.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.84 4.84 14300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 14300.0 nM 4.84 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