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

CHEMBL1170811

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
COc1ccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL1170811
Phase Preclinical
Structure Type MOL
InChI Key GMFIEHDHMSRPRZ-FRKPEAEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
4.70
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO4S
MW 407.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 10
CHEMBL3308951
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20570515 10.1016/j.bmcl.2010.05.033 Potassium channel subfamily K member 10 1
27592395 10.1016/j.ejmech.2016.08.042 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine