Compound Detail

CHEMBL343459

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Cc1ncsc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL343459
Phase	Preclinical
Structure Type	MOL
InChI Key	RLEAWABYZLHNEG-VWLOTQADSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

486.6

MW (Da)

5.41

ALogP

HBA

HBD

88.5

PSA (Å²)

0.28

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.49

Ki 2 meas. best 7.73

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Peroxisome proliferator-activated receptor gamma CHEMBL235	Ki	7.73	7.29	18.6	2
Peroxisome proliferator-activated receptor gamma CHEMBL235	EC50	6.49	6.305	323.6	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Peroxisome proliferator-activated receptor gamma	Ki	=	18.62	nM	7.73	Inhibition by 50% of in vitro binding to Peroxisome proliferator activated recep...	9836621
Peroxisome proliferator-activated receptor gamma	Ki	=	141.25	nM	6.85	Inhibition by 50% of in vitro binding to Peroxisome proliferator activated recep...	9836621
Peroxisome proliferator-activated receptor gamma	EC50	=	323.59	nM	6.49	Tested functionally in vitro for inducing 50% of the maximum alkaline phosphate ...	9836621
Peroxisome proliferator-activated receptor gamma	EC50	=	758.58	nM	6.12	Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using l...	9836621

PubMed	DOI	Target Context	# Activities
9836621	10.1021/jm980413z	Peroxisome proliferator-activated receptor gamma	4
9836621	10.1021/jm980413z	Peroxisome proliferator-activated receptor alpha	1

Data from ChEMBL 36 via Core Engine