Compound Detail

CHEMBL5840648

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CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5840648
Phase	Preclinical
Structure Type	MOL
InChI Key	LTZAFUIAXJDTFA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

405.9

MW (Da)

3.25

ALogP

HBA

HBD

130.7

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 8.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	8.52	8.52	3.0	2
Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437	IC50	6.76	6.76	174.0	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	=	3.0	nM	8.52	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	3.0	nM	8.52	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-
Phosphatidylinositol 3-kinase regulatory subunit beta	IC50	=	174.0	nM	6.76	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 3-kinase regulatory subunit beta	IC50	=	174.0	nM	6.76	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-

Data from ChEMBL 36 via Core Engine