Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL218691

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218691
Phase Preclinical
Structure Type MOL
InChI Key YEOXYRRBJIVFMU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
4.30
ALogP
6
HBA
2
HBD
97.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O5S
MW 440.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.33

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor alpha EC50 = 10.0 nM 8.0 Agonist potency at PPARalpha in CV1 cells by cell based transient transfection a... 17243659

Literature References

PubMed DOI Target Context # Activities
17243659 10.1021/jm058056x Peroxisome proliferator-activated receptor alpha 2
17243659 10.1021/jm058056x Peroxisome proliferator-activated receptor delta 1
17243659 10.1021/jm058056x Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine