Compound Detail

CHEMBL5093897

Enter ChEMBL ID:

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

CC(C)(Oc1ccc(CCOc2ccc(/N=N\c3ccccc3)cc2Cl)cc1)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5093897
Phase	Preclinical
Structure Type	MOL
InChI Key	TZMXARHZVDPBGK-RQZHXJHFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

438.9

MW (Da)

6.62

ALogP

HBA

HBD

80.5

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 7.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Peroxisome proliferator-activated receptor alpha CHEMBL239	EC50	7.4	7.4	40.0	1
Peroxisome proliferator-activated receptor delta CHEMBL3979	EC50	6.46	6.46	350.0	1
Peroxisome proliferator-activated receptor gamma CHEMBL235	EC50	6.04	6.04	920.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Peroxisome proliferator-activated receptor alpha	EC50	=	40.0	nM	7.4	Agonist activity at Gal4-fused human PPARalpha LBD transfected in HEK293T cells ...	34213899
Peroxisome proliferator-activated receptor delta	EC50	=	350.0	nM	6.46	Agonist activity at Gal4-fused human PPARdelta LBD transfected in HEK293T cells ...	34213899
Peroxisome proliferator-activated receptor gamma	EC50	=	920.0	nM	6.04	Agonist activity at Gal4-fused human PPARgamma LBD transfected in HEK293T cells ...	34213899

PubMed	DOI	Target Context	# Activities
34213899	10.1021/acs.jmedchem.1c00810	Peroxisome proliferator-activated receptor delta	2
34213899	10.1021/acs.jmedchem.1c00810	Peroxisome proliferator-activated receptor gamma	2
34213899	10.1021/acs.jmedchem.1c00810	Peroxisome proliferator-activated receptor alpha	2

Data from ChEMBL 36 via Core Engine