Compound Detail

CHEMBL5090959

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Cc1nc(Nc2cccc(-c3ocnc3CO)n2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5090959
Phase	Preclinical
Structure Type	MOL
InChI Key	YKKDQSUXCTZICT-HNNXBMFYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

565.7

MW (Da)

4.56

ALogP

HBA

HBD

138.5

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 9.2

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	9.2	9.2	0.6	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	8.7	8.7	2.0	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	=	0.631	nM	9.2	Inhibition of recombinant human PI3Kgamma assessed as reduction in ADP productio...	34080862
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	1.995	nM	8.7	Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP productio...	34080862

PubMed	DOI	Target Context	# Activities
34080862	10.1021/acs.jmedchem.1c00434	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	1
34080862	10.1021/acs.jmedchem.1c00434	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	1

Data from ChEMBL 36 via Core Engine