Compound Detail

CHEMBL521344

Enter ChEMBL ID:

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

CCN(CC)C(=O)c1ccc(Oc2ccc3c(c2)COB3O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL521344
Phase	Preclinical
Structure Type	MOL
InChI Key	ZXYACEYBZNPPLS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

325.2

MW (Da)

First in Class Prodrug

Molecular Formula	C18H20BNO4
MW	325.17

IC50 6 meas. best 6.37

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
PBMC CHEMBL613107	IC50	6.37	5.836	430.0	5
Phosphodiesterase 4 CHEMBL2093863	IC50	5.82	5.82	1500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
PBMC	IC50	=	430.0	nM	6.37	Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut...	19303290
PBMC	IC50	=	1300.0	nM	5.89	Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN...	19303290
PBMC	IC50	=	1400.0	nM	5.85	Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut...	19303290
Phosphodiesterase 4	IC50	=	1500.0	nM	5.82	Inhibition of PDE4 in human U937 cells assessed as accumulation of [3H]adenosine...	19303290
PBMC	IC50	=	2000.0	nM	5.7	Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut...	19303290
PBMC	IC50	=	4300.0	nM	5.37	Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut...	19303290

PubMed	DOI	Target Context	# Activities
19303290	10.1016/j.bmcl.2009.03.007	PBMC	7
19303290	10.1016/j.bmcl.2009.03.007	Phosphodiesterase 4	1
19303290	10.1016/j.bmcl.2009.03.007	L929	1

Data from ChEMBL 36 via Core Engine