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

CHEMBL561276

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
CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL561276
Phase Preclinical
Structure Type MOL
InChI Key CDXMMRJEJVMJPN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

500.5
MW (Da)
5.03
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24F4N4O2
MW 500.50
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 IC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor IC50 = 0.7943 nM 9.1 Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay 19592247

Literature References

PubMed DOI Target Context # Activities
19592247 10.1016/j.bmcl.2009.06.020 Unchecked 3
19592247 10.1016/j.bmcl.2009.06.020 Glucocorticoid receptor 2

Data from ChEMBL 36 via Core Engine