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

CHEMBL5595315

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
Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc(Cl)cc3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5595315
Phase Preclinical
Structure Type MOL
InChI Key GOLLASATMMWVJK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.0
MW (Da)
6.23
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31ClN2O2
MW 475.03
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bile acid receptor
CHEMBL2047
 IC50 5.57 5.57 2670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bile acid receptor IC50 = 2670.0 nM 5.57 Antagonist activity against human FXR transfected in HEK293T cells co-transfecte... 38043493

Literature References

PubMed DOI Target Context # Activities
38043493 10.1016/j.ejmech.2023.115992 Bile acid receptor 2

Data from ChEMBL 36 via Core Engine