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

CHEMBL236406

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
COc1ccc(F)cc1C(C)(C)CC(O)(CCCc1ccccc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236406
Phase Preclinical
Structure Type MOL
InChI Key JMCNSTVMYJKSPB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
5.82
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26F4O2
MW 398.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 IC50 5.95 5.95 1125.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor IC50 = 1125.0 nM 5.95 Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in ... 17692519

Literature References

PubMed DOI Target Context # Activities
17692519 10.1016/j.bmcl.2007.07.031 Glucocorticoid receptor 1
17692519 10.1016/j.bmcl.2007.07.031 Progesterone receptor 1
17692519 10.1016/j.bmcl.2007.07.031 Mineralocorticoid receptor 1

Data from ChEMBL 36 via Core Engine