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Compound Detail

CHEMBL280956

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CC1(C)OC(S)=Nc2ccc(-c3cc(F)cc(Br)c3)cc21

Basic Information

ChEMBL ID CHEMBL280956
Phase Preclinical
Structure Type MOL
InChI Key BUGHELVCJWKCPY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
5.44
ALogP
2
HBA
1
HBD
21.6
PSA (Ų)
0.67
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 C16H13BrFNOS
MW 366.26
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.12

Activity Summary

EC50 1 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 8.77 8.77 1.7 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 1

Data from ChEMBL 36 via Core Engine