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Compound Detail

CHEMBL3930349

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COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL3930349
Phase Preclinical
Structure Type MOL
InChI Key IBZKBMPIZWHXKP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.31
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19NO4S
MW 369.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.0 6.0 990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27994732 10.1021/acsmedchemlett.6b00184 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine