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Compound Detail

CHEMBL4475617

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OCCNCc1nc2c(OCC3CCCCC3)cccc2[nH]1

Basic Information

ChEMBL ID CHEMBL4475617
Phase Preclinical
Structure Type MOL
InChI Key JOTPSHMPFXYVCS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.60
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N3O2
MW 303.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.90

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