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Compound Detail

CHEMBL3895538

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O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3895538
Phase Preclinical
Structure Type MOL
InChI Key FCOQDVHOIAKYNX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
5.59
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13Cl2NO3S
MW 394.28
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 6.39 6.39 410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 410.0 nM 6.39 Antagonist activity at progesterone receptor in human T47D cells incubated for 2... 27994732

Literature References

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

Data from ChEMBL 36 via Core Engine