Compound Detail

CHEMBL520856

Enter ChEMBL ID:

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

CS(=O)(=O)Oc1ccc(CCCCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL520856
Phase	Preclinical
Structure Type	MOL
InChI Key	BZGGPIUEBLFMLY-UWUNEBHHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

400.5

MW (Da)

2.98

ALogP

HBA

HBD

99.1

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 4.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Peroxisome proliferator-activated receptor gamma CHEMBL235	EC50	4.82	4.82	15000.0	1
Peroxisome proliferator-activated receptor alpha CHEMBL239	EC50	4.82	4.82	15000.0	1

Parameter	Value	Units	Species
AUC	1491000.0	ng.hr.mL-1	Rattus norvegicus
Cmax	317111.54	nM	Rattus norvegicus
T1/2	12.0	hr	Rattus norvegicus
Tmax	4.0	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Peroxisome proliferator-activated receptor alpha	EC50	=	15000.0	nM	4.82	Agonist activity at human PPARalpha ligand binding domain expressed in human Hep...	18805005
Peroxisome proliferator-activated receptor gamma	EC50	=	15000.0	nM	4.82	Agonist activity at human PPARgamma ligand binding domain expressed in human Hep...	18805005

PubMed	DOI	Target Context	# Activities
18805005	10.1016/j.bmcl.2008.08.112	Rattus norvegicus	8
18805005	10.1016/j.bmcl.2008.08.112	Mus musculus	3
18805005	10.1016/j.bmcl.2008.08.112	Peroxisome proliferator-activated receptor alpha	1
18805005	10.1016/j.bmcl.2008.08.112	Peroxisome proliferator-activated receptor gamma	1

Data from ChEMBL 36 via Core Engine