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Compound Detail

CHEMBL4522603

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Cc1ncc(-c2ccn3ncc(-c4ccc5c(c4)C(N4CCOCC4)CC5)c3n2)cn1

Basic Information

ChEMBL ID CHEMBL4522603
Phase Preclinical
Structure Type MOL
InChI Key QIUJLZOBIUQHMC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
3.48
ALogP
7
HBA
0
HBD
68.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6O
MW 412.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31416665 10.1016/j.bmcl.2019.08.004 Unchecked 3
31416665 10.1016/j.bmcl.2019.08.004 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine