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Compound Detail

CHEMBL2316374

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O=c1c(/C=C/C(O)c2ccccc2)coc2cccc(OCC3CCCCC3)c12

Basic Information

ChEMBL ID CHEMBL2316374
Phase Preclinical
Structure Type MOL
InChI Key RKCGYWYYMGSAEP-CCEZHUSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
5.50
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.60
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 C25H26O4
MW 390.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.48

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 15000.0 nM 4.82 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