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

CHEMBL247400

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
Cc1cc2c(cc1-c1cc(C3CC3C(=O)O)ccc1OCC(F)(F)F)N(C)C(=O)CC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247400
Phase Preclinical
Structure Type MOL
InChI Key ICPNIFOBOKKLKY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
5.44
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26F3NO4
MW 461.48
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.02

Activity Summary

EC50 1 meas. best 6.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoic acid receptor RXR-alpha
CHEMBL2061
 EC50 6.84 6.84 144.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Retinoic acid receptor RXR-alpha EC50 = 144.0 nM 6.84 Activity at RXRalpha by GAL4DNA cotransfection assay 17490875

Literature References

PubMed DOI Target Context # Activities
17490875 10.1016/j.bmcl.2007.01.049 Retinoic acid receptor RXR-alpha 2
17490875 10.1016/j.bmcl.2007.01.049 Unchecked 1

Data from ChEMBL 36 via Core Engine