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Compound Detail

CHEMBL520127

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CN1C(=O)COC(C)(c2cccs2)c2cc(-c3ccc(C#N)n3C)ccc21

Basic Information

ChEMBL ID CHEMBL520127
Phase Preclinical
Structure Type MOL
InChI Key QFQGXJAEODJCRS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
3.88
ALogP
5
HBA
0
HBD
58.3
PSA (Ų)
0.68
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 C21H19N3O2S
MW 377.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.78

Activity Summary

EC50 1 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 7.43 7.43 37.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18722119 10.1016/j.bmcl.2008.08.015 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine