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Compound Detail

CHEMBL235060

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COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)cc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235060
Phase Preclinical
Structure Type MOL
InChI Key LQBYHZIKWGDYLT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
5.35
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24F4O2
MW 384.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 IC50 6.03 6.03 945.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor IC50 = 945.0 nM 6.03 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