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Compound Detail

CHEMBL4459407

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CCCN(CCO)Cc1nc2c(OCC3CCCCC3)cccc2[nH]1

Basic Information

ChEMBL ID CHEMBL4459407
Phase Preclinical
Structure Type MOL
InChI Key CCWCDUCIAGRMTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
3.73
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.73
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 C20H31N3O2
MW 345.49
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5 receptor subunit alpha
CHEMBL4523198
IC50 4.7 4.7 20000.0 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