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Compound Detail

CHEMBL2377414

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O=c1c(CCC(O)c2ccc3ccccc3c2)coc2cccc(OCC3CCCCC3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377414
Phase Preclinical
Structure Type MOL
InChI Key GUWKZGNYPREFLD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
6.57
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.35
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 C29H30O4
MW 442.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness 0.19

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
 IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 17000.0 nM 4.77 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