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Compound Detail

CHEMBL4467333

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COc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc(OC)c(C)c5)ccc4ncc32)cc1

Basic Information

ChEMBL ID CHEMBL4467333
Phase Preclinical
Structure Type MOL
InChI Key KBKGSCFXRJFRPO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
4.32
ALogP
7
HBA
0
HBD
71.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N4O3
MW 440.50
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 7.96 7.96 11.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30975623 10.1016/j.bmcl.2019.04.007 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2

Data from ChEMBL 36 via Core Engine