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

CHEMBL1760561

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
Cc1ccc(C(=O)c2nc3ccccc3n2-c2cccc(OC(C)(C)C(=O)O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760561
Phase Preclinical
Structure Type MOL
InChI Key IAPSBVDAXGRSQS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.81
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O4
MW 414.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.03

Activity Summary

EC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor gamma EC50 = 3300.0 nM 5.48 Partial agonist activity at human PPARgamma expressed in CHO cells co-transfecte... 21377875

Literature References

PubMed DOI Target Context # Activities
21377875 10.1016/j.bmcl.2011.02.032 Peroxisome proliferator-activated receptor gamma 2
21377875 10.1016/j.bmcl.2011.02.032 Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine