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Compound Detail

CHEMBL71527

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CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)s3)cc21

Basic Information

ChEMBL ID CHEMBL71527
Phase Preclinical
Structure Type MOL
InChI Key BGAWWRLMFNCAKP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
4.08
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.86
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 C15H12N2O2S
MW 284.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.18

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15081005 10.1016/j.bmcl.2004.02.054 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine