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Compound Detail

CHEMBL326955

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Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)(C)C(=O)N2

Basic Information

ChEMBL ID CHEMBL326955
Phase Preclinical
Structure Type MOL
InChI Key NIOCARGZGKGNDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
3.82
ALogP
3
HBA
1
HBD
52.9
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 C16H14N2OS
MW 282.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.37

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12419390 10.1016/s0960-894x(02)00746-1 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine