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

CHEMBL5269567

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
CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5269567
Phase Preclinical
Structure Type MOL
InChI Key LUUIKXAZKBQFRZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
3.93
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO3
MW 297.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.22

Activity Summary

EC50 1 meas. best 10.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bile acid receptor
CHEMBL2047
 EC50 10.05 10.05 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bile acid receptor EC50 = 0.09 nM 10.05 Agonist activity at FXR in human HeLa cells by Dual-Glo luciferase assay 34889100

Literature References

PubMed DOI Target Context # Activities
34889100 10.1021/acs.jmedchem.1c01017 Bile acid receptor 2

Data from ChEMBL 36 via Core Engine