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Compound Detail

CHEMBL2147494

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O=c1c(CN(CCO)c2ccccc2)coc2cccc(OCC3CCCCC3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2147494
Phase Preclinical
Structure Type MOL
InChI Key MFYXTOVZWFWRJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
4.75
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NO4
MW 407.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.32

Activity Summary

IC50 1 meas. best 4.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
 IC50 4.84 4.84 14300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 14300.0 nM 4.84 Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay 22954899

Literature References

PubMed DOI Target Context # Activities
22954899 10.1016/j.bmc.2012.08.006 Interleukin-5 2

Data from ChEMBL 36 via Core Engine