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Compound Detail

CHEMBL283982

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CC1(C)OC(S)=Nc2c(Br)cc(-c3ccc(Cl)c(F)c3)cc21

Basic Information

ChEMBL ID CHEMBL283982
Phase Preclinical
Structure Type MOL
InChI Key LGCLNWPGTFJGOQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.7
MW (Da)
6.09
ALogP
2
HBA
1
HBD
21.6
PSA (Ų)
0.57
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 C16H12BrClFNOS
MW 400.70
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.50

Activity Summary

EC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor EC50 = 1000.0 nM 6.0 Effective concentration on alkaline phosphatase activity in human T47D breast ca... 12657271

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