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Compound Detail

CHEMBL228766

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C=CCOC(CCc1ccccc1)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228766
Phase Preclinical
Structure Type MOL
InChI Key KPAXBIAZFPSKKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
7.15
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33NO2
MW 439.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.15

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 1000.0 nM 6.0 Displacement of RU486 from human progesterone receptor by fluorescence polarizat... 17681466

Literature References

PubMed DOI Target Context # Activities
17681466 10.1016/j.bmcl.2007.07.021 Glucocorticoid receptor 1
17681466 10.1016/j.bmcl.2007.07.021 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine