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Compound Detail

CHEMBL244770

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Nc1nc(NCCCN2CCOCC2)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1

Basic Information

ChEMBL ID CHEMBL244770
Phase Preclinical
Structure Type MOL
InChI Key CCJWJJHYXGCRIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
2.88
ALogP
10
HBA
4
HBD
142.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N7O3
MW 473.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 4.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 4.29 4.29 51000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17685602 10.1021/jm051056c Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine