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

CHEMBL1094206

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
OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1F)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094206
Phase Preclinical
Structure Type MOL
InChI Key AJRQXIWRZSQDHR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.3
MW (Da)
5.10
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13F5N2O
MW 404.34
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 IC50 7.27 7.27 54.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor IC50 = 54.0 nM 7.27 Binding affinity to human glucocorticoid receptor by fluorescence polarization c... 20427184

Literature References

PubMed DOI Target Context # Activities
20427184 10.1016/j.bmcl.2010.04.012 Glucocorticoid receptor 1

Data from ChEMBL 36 via Core Engine