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Compound Detail

CHEMBL25128

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CC1(C)OC(S)=Nc2c(F)cc(-c3cc(F)cc(C#N)c3)cc21

Basic Information

ChEMBL ID CHEMBL25128
Phase Preclinical
Structure Type MOL
InChI Key YLRADUODZWLKHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.69
ALogP
3
HBA
1
HBD
45.4
PSA (Ų)
0.77
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 C17H12F2N2OS
MW 330.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.62

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