Compound Detail

CHEMBL5859446

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Cc1cnc2cc([C@H](C)Nc3ncnc(N)c3C#N)c(-c3ccccc3)nn12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5859446
Phase	Preclinical
Structure Type	MOL
InChI Key	ONZNRDPLVLNHSG-ZDUSSCGKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

370.4

MW (Da)

3.12

ALogP

HBA

HBD

117.8

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	8.7	8.7	2.0	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	6.49	6.49	322.0	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	=	2.0	nM	8.7	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	2.0	nM	8.7	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	322.0	nM	6.49	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	322.0	nM	6.49	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-

Data from ChEMBL 36 via Core Engine