Compound Detail

CHEMBL5830125

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CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4C[C@@H](C)NCC4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5830125
Phase	Preclinical
Structure Type	MOL
InChI Key	YXGZTQDPLYDOCC-WBVHZDCISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

595.8

MW (Da)

3.24

ALogP

HBA

HBD

136.6

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 9.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	9.1	9.1	0.8	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	9.0	9.0	1.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	7.48	7.48	33.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	IC50	6.59	6.59	257.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	0.8	nM	9.1	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	1.0	nM	9.0	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	33.0	nM	7.48	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	IC50	=	257.0	nM	6.59	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-

Data from ChEMBL 36 via Core Engine