Compound Detail

CHEMBL4099634

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COC(=O)N1C[C@@H](C)N(c2cccc(-c3cc(-c4ccnn4C4CCOCC4)c4c(N)ncnn34)c2)[C@@H](C)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4099634
Phase	Preclinical
Structure Type	MOL
InChI Key	CZFBUOIQYXYRPJ-KDURUIRLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

530.6

MW (Da)

3.86

ALogP

HBA

HBD

116.0

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 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	7.9467	4.0	3

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	ADP-Glo Format PI3K Assay: The ADP-Glo format PI3K assays were performed in Prox...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	4.5	nM	8.35	Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated fo...	28108251
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	81.0	nM	7.09	Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 exp...	28108251

PubMed	DOI	Target Context	# Activities
28108251	10.1016/j.bmcl.2017.01.016	Unchecked	3
28108251	10.1016/j.bmcl.2017.01.016	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	2

Data from ChEMBL 36 via Core Engine