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Compound Detail

CHEMBL4174194

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Cc1ccc(CC2Cc3cccc(OCC4CCCCC4)c3C2=O)cc1

Basic Information

ChEMBL ID CHEMBL4174194
Phase Preclinical
Structure Type MOL
InChI Key NMEZHTGCEYPXMT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
5.55
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.71
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28O2
MW 348.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.19

Activity Summary

IC50 1 meas. best 4.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
IC50 4.61 4.61 24500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 24500.0 nM 4.61 Inhibition of IL-5 in mouse Y16 cells assessed as reduction in cell proliferatio... 29689475

Literature References

PubMed DOI Target Context # Activities
29689475 10.1016/j.ejmech.2018.04.030 Interleukin-5 2

Data from ChEMBL 36 via Core Engine