Compound Detail

CHEMBL408261

Enter ChEMBL ID:

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

COc1ccccc1S(=O)(=O)NCCc1c(CCCc2ccc(C(=O)O)cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL408261
Phase	Preclinical
Structure Type	MOL
InChI Key	QYOABXPVWFBCJA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

693.3

MW (Da)

8.34

ALogP

HBA

HBD

97.6

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cytosolic phospholipase A2 CHEMBL3816	IC50	7.0	7.0	100.0	1
Unchecked CHEMBL612545	IC50	7.0	6.85	100.0	2
Blood CHEMBL613615	IC50	6.7	6.7	200.0	1

Parameter	Value	Units	Species
CL	10.7	mL.min-1.kg-1	Rattus norvegicus
F	7.8	%	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	100.0	nM	7.0	Inhibition of human cPLA2-alpha assessed as cleavage of 7-hydroxycoumarinyl-gamm...	17998165
Cytosolic phospholipase A2	IC50	=	100.0	nM	7.0	Inhibition of human cytosolic PLA2alpha by GLU micelle assay	19178292
Unchecked	IC50	=	200.0	nM	6.7	Inhibition of cPLA2-alpha in Sprague-Dawley rat whole blood assay in presence of...	17998165
Blood	IC50	=	200.0	nM	6.7	Inhibition of A23187-induced TBX2 release in Sprague-Dawley rat whole blood	19178292

PubMed	DOI	Target Context	# Activities
17998165	10.1016/j.bmc.2007.10.060	Unchecked	2
17998165	10.1016/j.bmc.2007.10.060	Rattus norvegicus	2
19178292	10.1021/jm8009876	Cytosolic phospholipase A2	1
19178292	10.1021/jm8009876	Blood	1

Data from ChEMBL 36 via Core Engine