Compound Detail

CHEMBL6037455

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CCC(Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6037455
Phase	Preclinical
Structure Type	MOL
InChI Key	ZCVHPIMJZCMSBM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

404.9

MW (Da)

4.28

ALogP

HBA

HBD

96.7

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 8.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	8.4	8.4	4.0	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	6.21	6.21	617.0	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	=	4.0	nM	8.4	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	4.0	nM	8.4	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	617.0	nM	6.21	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	617.0	nM	6.21	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-

Data from ChEMBL 36 via Core Engine