Compound Detail

CHEMBL2064483

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CC(=O)Nc1nc2ccc(-c3cccc(S(C)(=O)=O)c3)cn2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2064483
Phase	Preclinical
Structure Type	MOL
InChI Key	UXKNNDLQXMAHTR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

330.4

MW (Da)

1.76

ALogP

HBA

HBD

93.4

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	6.3	5.85	501.2	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	5.5	5.5	3162.3	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	=	501.19	nM	6.3	Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay	22819766
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	3162.28	nM	5.5	Inhibition of PI3Kdelta by high throughput chemoproteomics binding assay	22819766
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	3981.07	nM	5.4	Inhibition of PI3Kgamma assessed as inhibition of fMLP-induced neutrophil migrat...	22819766

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

Data from ChEMBL 36 via Core Engine