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Compound Detail

CHEMBL388946

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Oc1cccc(-c2nc3nc(O)nc(O)c3nc2-c2cccc(O)c2)c1

Basic Information

ChEMBL ID CHEMBL388946
Phase Preclinical
Structure Type MOL
InChI Key MCICQGDYMXZNFS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
2.58
ALogP
8
HBA
4
HBD
132.5
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 C18H12N4O4
MW 348.32
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 4.34 4.34 46000.0 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