Compound Detail

CHEMBL5989178

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CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N4CCCC4=O)n3)nc2C)cc2c1C(=O)N([C@@H](C)C(F)(F)F)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5989178
Phase	Preclinical
Structure Type	MOL
InChI Key	GFTIJVHUHAMPLS-AWEZNQCLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

594.6

MW (Da)

4.20

ALogP

HBA

HBD

124.6

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 9.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	9.15	9.15	0.7	1
Unchecked CHEMBL612545	IC50	8.96	8.96	1.1	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	7.16	7.16	70.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	IC50	6.3	6.3	505.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	0.7	nM	9.15	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-
Unchecked	IC50	=	1.1	nM	8.96	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	70.0	nM	7.16	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	IC50	=	505.0	nM	6.3	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-

Data from ChEMBL 36 via Core Engine