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Compound Detail

CHEMBL225402

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O=C(O)c1ccc(/C=C/C(=O)c2ccc(OCC3CCCCC3)cc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225402
Phase Preclinical
Structure Type MOL
InChI Key KHJCNNKDVPJTGP-MDWZMJQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.95
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24O5
MW 380.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.06

Activity Summary

IC50 1 meas. best 4.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.97 4.97 10800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10800.0 nM 4.97 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