Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL506863

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@]1(c2ccsc2)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21

Basic Information

ChEMBL ID CHEMBL506863
Phase Preclinical
Structure Type MOL
InChI Key NMFFKMGRIJPQTE-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.85
ALogP
4
HBA
2
HBD
77.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N3O2S
MW 349.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.68

Activity Summary

EC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor EC50 = 110.0 nM 6.96 Activity at progesterone receptor assessed as alkaline phosphatase activity in h... 18722119

Literature References

PubMed DOI Target Context # Activities
18722119 10.1016/j.bmcl.2008.08.015 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine