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

CHEMBL190992

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(CC2c3cccc(Br)c3CC[N+]2(C)C)cc1OC

Basic Information

ChEMBL ID CHEMBL190992
Phase Preclinical
Structure Type MOL
InChI Key DFZPTBCGDPDLJR-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
4.38
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25BrNO2+
MW 391.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.70

Activity Summary

IC50 1 meas. best 4.59
Ki 1 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel
CHEMBL2096673
Ki 5.31 5.31 4900.0 1
Small conductance calcium-activated potassium channel
CHEMBL2096673
IC50 4.59 4.59 25400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16033276 10.1021/jm049025p Small conductance calcium-activated potassium channel 3

Data from ChEMBL 36 via Core Engine