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Compound Detail

CHEMBL395726

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Nc1nc(N)c2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2n1

Basic Information

ChEMBL ID CHEMBL395726
Phase Preclinical
Structure Type MOL
InChI Key OQWMHOAPOCKKHC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.33
ALogP
8
HBA
4
HBD
144.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N6O2
MW 346.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.13

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 5.57 5.57 2700.0 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