Compound Detail

CHEMBL209159

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C1NC(=O)/C(=C/c2ccc(-c3cc(F)cc(F)c3O)s2)S1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL209159
Phase	Preclinical
Structure Type	MOL
InChI Key	NRUOQMAAFHGBEE-WZUFQYTHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

339.3

MW (Da)

3.72

ALogP

HBA

HBD

66.4

PSA (Å²)

0.82

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	7.54	7.54	29.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	6.47	6.47	340.0	1
RAW264.7 CHEMBL612557	IC50	5.86	5.86	1390.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	29.0	nM	7.54	Inhibition of human PI3Kgamma	16789742
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	340.0	nM	6.47	Inhibition of human PI3Kalpha	16789742
RAW264.7	IC50	=	1390.0	nM	5.86	Inhibition of C5a-mediated PKB/Akt phosphorylation in mouse Raw264 macrophage	16789742

PubMed	DOI	Target Context	# Activities
16789742	10.1021/jm0601598	RAW264.7	1
16789742	10.1021/jm0601598	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	1
16789742	10.1021/jm0601598	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	1

Data from ChEMBL 36 via Core Engine