Compound Detail

CHEMBL3975891

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C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)c(F)c1)CCC(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3975891
Phase	Preclinical
Structure Type	MOL
InChI Key	UBKLPSDBXASOLG-QGOAFFKASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

451.5

MW (Da)

5.55

ALogP

HBA

HBD

80.0

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 8.71

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Peroxisome proliferator-activated receptor delta CHEMBL3979	EC50	8.71	8.265	1.9	4
Unchecked CHEMBL612545	EC50	8.71	8.71	1.9	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Peroxisome proliferator-activated receptor delta	EC50	=	1.93	nM	8.71	Transactivation of ProLink tagged human PPARdelta transfected in CHO-K1 cells as...	27660684
Peroxisome proliferator-activated receptor delta	EC50	=	1.93	nM	8.71	Luciferase Assay: Medium including test compound was aspirated and washed with P...	-
Unchecked	EC50	=	1.93	nM	8.71	Luciferase Assay: Medium including test compound was aspirated and washed with P...	-
Peroxisome proliferator-activated receptor delta	EC50	=	15.0	nM	7.82	Transactivation of human Gal4-PPARdelta LBD transfected in African green monkey ...	27660684
Peroxisome proliferator-activated receptor delta	EC50	=	15.0	nM	7.82	Nuclear Hormone Receptor (NHR) Assay: Cell Handling: PathHunter NHR cell lines w...	-

PubMed	DOI	Target Context	# Activities
27660684	10.1021/acsmedchemlett.6b00301	Peroxisome proliferator-activated receptor delta	2

Data from ChEMBL 36 via Core Engine