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Compound Detail

CHEMBL65307

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CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(-c2ccccc2)cc1-3

Basic Information

ChEMBL ID CHEMBL65307
Phase Preclinical
Structure Type MOL
InChI Key ZLWINLVDXSESKM-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
6.52
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23NO
MW 353.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.42

Activity Summary

EC50 1 meas. best 5.69
IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.09 6.09 811.0 1
Progesterone receptor
CHEMBL208
EC50 5.69 5.69 2030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12781198 10.1016/s0960-894x(03)00256-7 Progesterone receptor 7

Data from ChEMBL 36 via Core Engine