Compound Detail

CHEMBL403646

Enter ChEMBL ID:

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

CC(C)c1c(S(=O)(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL403646
Phase	Preclinical
Structure Type	MOL
InChI Key	LRLUYGQIWAIEDE-CNZCJKERSA-M
Parent Compound	CHEMBL1207411
Active Moiety	CHEMBL1207411

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

594.7

MW (Da)

5.86

ALogP

HBA

HBD

128.9

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 9.24

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte CHEMBL613362	IC50	9.24	9.24	0.6	1
3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247	IC50	8.05	8.05	9.0	1
L6 CHEMBL614793	IC50	7.7	7.7	20.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte	IC50	=	0.57	nM	9.24	Inhibition of cholesterol synthesis in rat hepatocyte	18155906
3-hydroxy-3-methylglutaryl-coenzyme A reductase	IC50	=	9.0	nM	8.05	Inhibition of rat microsomal HMGCoA reductase	18155906
L6	IC50	=	20.0	nM	7.7	Inhibition of cholesterol synthesis in rat L6 myocyte	18155906

PubMed	DOI	Target Context	# Activities
18155906	10.1016/j.bmcl.2007.11.124	Hepatocyte	2
18155906	10.1016/j.bmcl.2007.11.124	3-hydroxy-3-methylglutaryl-coenzyme A reductase	1
18155906	10.1016/j.bmcl.2007.11.124	L6	1
18155906	10.1016/j.bmcl.2007.11.124	Mus musculus	1

Data from ChEMBL 36 via Core Engine