Compound Detail

CHEMBL5903316

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Cc1nc(N)c(C#N)c(N[C@@H](C)c2cc3ncc(Cl)n3nc2-c2ccccc2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5903316
Phase	Preclinical
Structure Type	MOL
InChI Key	GRBCJWDKHYVTFT-NSHDSACASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

404.9

MW (Da)

3.78

ALogP

HBA

HBD

117.8

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 7.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	7.82	7.82	15.0	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	6.61	6.61	243.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	15.0	nM	7.82	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	15.0	nM	7.82	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	243.0	nM	6.61	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	243.0	nM	6.61	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-

Data from ChEMBL 36 via Core Engine