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Compound Detail

CHEMBL2147499

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O=c1c(CN(CCO)Cc2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12

Basic Information

ChEMBL ID CHEMBL2147499
Phase Preclinical
Structure Type MOL
InChI Key GYKLAJKYSFJKJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.45
ALogP
6
HBA
2
HBD
83.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31NO5
MW 437.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 5.04 5.04 9100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 9100.0 nM 5.04 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