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Compound Detail

CHEMBL392848

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CN1C(=O)OC(C)(C)c2cc(Nc3ccc(Cl)c(Cl)c3)ccc21

Basic Information

ChEMBL ID CHEMBL392848
Phase Preclinical
Structure Type MOL
InChI Key SGSIACSKFVPXQO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.2
MW (Da)
5.56
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.77
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16Cl2N2O2
MW 351.23
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17027272 10.1016/j.bmcl.2006.09.060 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine