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Compound Detail

CHEMBL4562876

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OCC(Cc1ccccc1)NCc1nc2c(OCC3CCCCC3)cccc2[nH]1

Basic Information

ChEMBL ID CHEMBL4562876
Phase Preclinical
Structure Type MOL
InChI Key ZZBQFMULLSNPMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
4.22
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N3O2
MW 393.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.70

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5 receptor subunit alpha
CHEMBL4523198
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

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