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Compound Detail

CHEMBL28164

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CN1C(=S)OC(C)(C)c2cc(-c3cc(F)cc(Br)c3)ccc21

Basic Information

ChEMBL ID CHEMBL28164
Phase Preclinical
Structure Type MOL
InChI Key AAZLXHMTANMOOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.3
MW (Da)
5.24
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.63
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 C17H15BrFNOS
MW 380.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.53

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
12657271 10.1016/s0960-894x(03)00128-8 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine