Compound Detail

CHEMBL5272007

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5272007
Phase	Preclinical
Structure Type	MOL
InChI Key	WKDBRCUUDXLTIM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

390.8

MW (Da)

3.47

ALogP

HBA

HBD

117.8

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C19H15ClN8
MW	390.84
Aromatic Rings	4
Heavy Atoms	28
NP-Likeness	-1.46

Activity Summary

IC50 12 meas. best 9.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	9.3	8.59	0.5	4
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	IC50	9.0	9.0	1.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	7.23	6.8925	59.0	4
Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437	IC50	6.57	6.5167	272.0	3

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	0.5	nM	9.3	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	IC50	=	1.0	nM	9.0	Inhibition of PI3Kbeta (unknown origin)	34607244
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	1.0	nM	9.0	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	1.0	nM	9.0	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	59.0	nM	7.23	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	87.0	nM	7.06	Inhibition of PI3Kdelta (unknown origin)	34607244
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	168.0	nM	6.78	Inhibition of PI3Kgamma (unknown origin)	34607244
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	168.0	nM	6.78	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	168.0	nM	6.78	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-
Phosphatidylinositol 3-kinase regulatory subunit beta	IC50	=	272.0	nM	6.57	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 3-kinase regulatory subunit beta	IC50	=	323.0	nM	6.49	Transcreener KINASE Assay: Briefly, the Transcreener KINASE Assay was designed a...	-
Phosphatidylinositol 3-kinase regulatory subunit beta	IC50	=	323.0	nM	6.49	Fluorescent Determination of PI3K Enzyme Activity: PI3K kinases including p110α/...	-

Literature References

PubMed	DOI	Target Context	# Activities
34607244	10.1016/j.ejmech.2021.113867	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	1
34607244	10.1016/j.ejmech.2021.113867	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	1
34607244	10.1016/j.ejmech.2021.113867	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	1
34607244	10.1016/j.ejmech.2021.113867	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	1

Data from ChEMBL 36 via Core Engine