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Compound Detail

CHEMBL2316364

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Cc1ccc(C(=O)/C=C/c2coc3cccc(OCC4CCCCC4)c3c2=O)cc1

Basic Information

ChEMBL ID CHEMBL2316364
Phase Preclinical
Structure Type MOL
InChI Key HPMDKUASHQRBCI-CCEZHUSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.96
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.38
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 C26H26O4
MW 402.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.6 4.6 25100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 25100.0 nM 4.6 Inhibition of IL-5 in mouse pro-B Y16 cells after 48 hrs by WST1 assay 23202848

Literature References

PubMed DOI Target Context # Activities
23202848 10.1016/j.ejmech.2012.11.007 Interleukin-5 2

Data from ChEMBL 36 via Core Engine