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Compound Detail

CHEMBL441318

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Nc1nc(N)c2ncc(-c3ccc(O)cc3)nc2n1

Basic Information

ChEMBL ID CHEMBL441318
Phase Preclinical
Structure Type MOL
InChI Key FVZABFCAUBTPSL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
0.96
ALogP
7
HBA
3
HBD
123.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N6O
MW 254.25
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 5.33 5.33 4700.0 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