Compound Detail

CHEMBL3917188

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C[C@H](NC(=O)c1c(N)nn2ccccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3917188
Phase	Preclinical
Structure Type	MOL
InChI Key	DGPKQQCMXOJNFZ-HNNXBMFYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

457.9

MW (Da)

4.37

ALogP

HBA

HBD

94.4

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	6.52	6.02	300.0	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	5.7	5.7	2000.0	1
PI3-kinase p110-delta/p85-alpha CHEMBL2111432	IC50	5.58	5.58	2600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	300.0	nM	6.52	Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expr...	27660692
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	2000.0	nM	5.7	PI3-Kinase HTRF Assay: A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased f...	-
PI3-kinase p110-delta/p85-alpha	IC50	=	2600.0	nM	5.58	Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta...	27660692
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	3000.0	nM	5.52	PI3-Kinase HTRF Assay: A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased f...	-

PubMed	DOI	Target Context	# Activities
27660692	10.1021/acsmedchemlett.6b00238	PI3-kinase p110-delta/p85-alpha	1
27660692	10.1021/acsmedchemlett.6b00238	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	1

Data from ChEMBL 36 via Core Engine