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Compound Detail

CHEMBL2377399

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O=C(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377399
Phase Preclinical
Structure Type MOL
InChI Key LUHOITIMITZTIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
5.71
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25FO4
MW 408.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.24

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
 IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 20000.0 nM 4.7 Inhibition interleukin-5 in mouse Y16 cells after 48 hrs by WST-1 assay 23523388

Literature References

PubMed DOI Target Context # Activities
23523388 10.1016/j.bmc.2013.02.037 Interleukin-5 2

Data from ChEMBL 36 via Core Engine