Compound Detail

CHEMBL6043146

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C[C@H](Nc1ncnc(N)c1C(=O)O)c1cc2ncc(Cl)n2nc1-c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6043146
Phase	Preclinical
Structure Type	MOL
InChI Key	ZJHFZWDCWPGHFY-JTQLQIEISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

409.8

MW (Da)

3.29

ALogP

HBA

HBD

131.3

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 7.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	7.96	7.53	11.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	11.0	nM	7.96	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	11.0	nM	7.96	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	80.0	nM	7.1	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	80.0	nM	7.1	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-

Data from ChEMBL 36 via Core Engine