Compound Detail

CHEMBL3585612

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Cc1ccc(NC(=O)c2cccn3c(=O)cc(N4CCOCC4)nc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3585612
Phase	Preclinical
Structure Type	MOL
InChI Key	KVTLCPXSSRRLQI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

364.4

MW (Da)

2.09

ALogP

HBA

HBD

75.9

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	6.85	6.85	140.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	5.92	5.92	1200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	140.0	nM	6.85	Inhibition of N-terminal His-tagged human p110delta expressed in Sf9 cells co-ex...	25890698
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	1200.0	nM	5.92	Inhibition of N-terminal His-tagged human p110alpha expressed in Sf9 cells co-ex...	25890698

PubMed	DOI	Target Context	# Activities
25890698	10.1016/j.bmc.2015.03.073	NON-PROTEIN TARGET	2
25890698	10.1016/j.bmc.2015.03.073	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	1
25890698	10.1016/j.bmc.2015.03.073	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	1
25890698	10.1016/j.bmc.2015.03.073	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	1
25890698	10.1016/j.bmc.2015.03.073	Unchecked	1

Data from ChEMBL 36 via Core Engine