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Compound Detail

CHEMBL5193998

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COc1cccc(OC(C)c2cc(C)cc3c(=O)nc(N4CCOCC4)oc23)c1

Basic Information

ChEMBL ID CHEMBL5193998
Phase Preclinical
Structure Type MOL
InChI Key OWDFNWPUFKVITO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.48
ALogP
7
HBA
0
HBD
74.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O5
MW 396.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
CHEMBL3145
IC50 5.73 5.73 1880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35752141 10.1016/j.bmc.2022.116832 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1

Data from ChEMBL 36 via Core Engine