Compound Detail

CHEMBL1946409

Enter ChEMBL ID:

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

CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)O)cc1)c1nc2ccccc2o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1946409
Phase	Preclinical
Structure Type	MOL
InChI Key	IRAAJHYKQDFNFO-SFHVURJKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

438.4

MW (Da)

3.92

ALogP

HBA

HBD

85.0

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 9.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Peroxisome proliferator-activated receptor gamma CHEMBL235	EC50	9.0	8.925	1.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Peroxisome proliferator-activated receptor gamma	EC50	=	1.0	nM	9.0	Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-4...	22070604
Peroxisome proliferator-activated receptor gamma	EC50	=	1.0	nM	9.0	Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 b...	22070604
Peroxisome proliferator-activated receptor gamma	EC50	=	1.0	nM	9.0	Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by...	22070604
Peroxisome proliferator-activated receptor gamma	EC50	=	2.0	nM	8.7	Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 ...	22070604

PubMed	DOI	Target Context	# Activities
22070604	10.1021/jm201061j	Peroxisome proliferator-activated receptor gamma	8

Data from ChEMBL 36 via Core Engine