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Compound Detail

CHEMBL25556

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CC1(C)OC(S)=Nc2ccc(-c3cncc(Br)c3)cc21

Basic Information

ChEMBL ID CHEMBL25556
Phase Preclinical
Structure Type MOL
InChI Key GHELUGIZMVFOKT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.2
MW (Da)
4.69
ALogP
3
HBA
1
HBD
34.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13BrN2OS
MW 349.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.07

Activity Summary

EC50 1 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 8.24 8.24 5.7 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