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Compound Detail

CHEMBL134258

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CC1=CC(C)(C)Nc2ccc(-c3ccsc3C#N)cc21

Basic Information

ChEMBL ID CHEMBL134258
Phase Preclinical
Structure Type MOL
InChI Key LSXYXTJXSSHPEZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
4.89
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.81
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 C17H16N2S
MW 280.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.51

Activity Summary

IC50 2 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.56 6.53 278.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10743938 10.1016/s0960-894x(00)00011-1 Progesterone receptor 9

Data from ChEMBL 36 via Core Engine