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Compound Detail

CHEMBL389541

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Nc1nc(N)c2nc(-c3cccc(OCC(O)CO)c3)c(-c3cccc(OCC(O)CO)c3)nc2n1

Basic Information

ChEMBL ID CHEMBL389541
Phase Preclinical
Structure Type MOL
InChI Key YSCIYDATXPXTPF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.5
MW (Da)
0.38
ALogP
12
HBA
6
HBD
203.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O6
MW 494.51
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 4.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 4.49 4.49 32700.0 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