Compound Detail

CHEMBL2152147

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CNC(=O)c1nc(-c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cnc1N

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2152147
Phase	Preclinical
Structure Type	MOL
InChI Key	KLNKWQSHMVRXAL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

417.9

MW (Da)

2.54

ALogP

HBA

HBD

127.1

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	7.38	6.885	42.0	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	6.15	6.15	705.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	5.9	5.9	1253.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	IC50	5.32	5.32	4774.0	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	=	42.0	nM	7.38	Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP c...	22548342
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	409.0	nM	6.39	Inhibition of human PI3Kgamma expressed in C5a-stimulated mouse RAW 264.7 cells ...	22548342
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	705.0	nM	6.15	Inhibition of human PI3Kalpha expressed in sf9 cells coexpressing p85alpha asses...	22548342
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	1253.0	nM	5.9	Inhibition of human PI3Kdelta expressed in sf9 cells coexpressing p85alpha asses...	22548342
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	IC50	=	4774.0	nM	5.32	Inhibition of human PI3Kbeta expressed in sf9 cells coexpressing p85alpha assess...	22548342

PubMed	DOI	Target Context	# Activities
22548342	10.1021/jm300403a	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	2
22548342	10.1021/jm300403a	Plasma	2
22548342	10.1021/jm300403a	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	1
22548342	10.1021/jm300403a	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	1
22548342	10.1021/jm300403a	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	1
22548342	10.1021/jm300403a	MDCK	1

Data from ChEMBL 36 via Core Engine