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Compound Detail

CHEMBL4438982

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COc1ccc(CN(CCO)Cc2nc3c(OCC4CCCCC4)cccc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438982
Phase Preclinical
Structure Type MOL
InChI Key ZDAHXPHBNYETGJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.6
MW (Da)
4.53
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33N3O3
MW 423.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5 receptor subunit alpha
CHEMBL4523198
 IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 receptor subunit alpha IC50 = 19000.0 nM 4.72 Inhibition of IL-5 receptor in mouse pro-B Y16 cells assessed as decrease in mIL... 31400705

Literature References

PubMed DOI Target Context # Activities
31400705 10.1016/j.ejmech.2019.111574 Interleukin-5 receptor subunit alpha 2

Data from ChEMBL 36 via Core Engine