Compound Detail

CHEMBL67395

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OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccccc2)c1)C(F)(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL67395
Phase	Preclinical
Structure Type	MOL
InChI Key	PBSGWFPEZKVLMD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

517.4

MW (Da)

6.43

ALogP

HBA

HBD

41.9

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cholesteryl ester transfer protein CHEMBL1163116	IC50	6.7	6.7	200.0	1
Cholesteryl ester transfer protein CHEMBL3572	IC50	6.7	6.1067	200.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cholesteryl ester transfer protein	IC50	=	200.0	nM	6.7	Compound was tested in vitro for inhibitory activity against recombinant human c...	12747787
Cholesteryl ester transfer protein	IC50	=	200.0	nM	6.7	Inhibition of CETP	17604633
Cholesteryl ester transfer protein	IC50	=	200.0	nM	6.7	Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters ...	20116902
Cholesteryl ester transfer protein	IC50	=	12100.0	nM	4.92	Compound was tested in vitro for inhibitory activity against recombinant human c...	12747787

PubMed	DOI	Target Context	# Activities
12747787	10.1021/jm020528+	Cholesteryl ester transfer protein	2
17604633	10.1016/j.bmc.2007.06.021	Cholesteryl ester transfer protein	1
20116902	10.1016/j.ejmech.2009.12.070	Cholesteryl ester transfer protein	1

Data from ChEMBL 36 via Core Engine