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Compound Detail

CHEMBL25292

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COc1cc(C#N)cc(-c2ccc3c(c2)C(C)(C)OC(S)=N3)c1

Basic Information

ChEMBL ID CHEMBL25292
Phase Preclinical
Structure Type MOL
InChI Key CTTIMHOODJRMMQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.42
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O2S
MW 324.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.10

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