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Compound Detail

CHEMBL2064572

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CC(C)(C)NS(=O)(=O)c1cncc(-c2cn3nc(N)nc3cc2F)c1

Basic Information

ChEMBL ID CHEMBL2064572
Phase Preclinical
Structure Type MOL
InChI Key UQOXIOCSNFWVRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.59
ALogP
7
HBA
2
HBD
115.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17FN6O2S
MW 364.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 4.6 4.6 25118.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22819766 10.1016/j.bmcl.2012.06.049 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
22819766 10.1016/j.bmcl.2012.06.049 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
22819766 10.1016/j.bmcl.2012.06.049 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
22819766 10.1016/j.bmcl.2012.06.049 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1

Data from ChEMBL 36 via Core Engine