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

CHEMBL496461

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
O=C1Nc2cc(C(F)(F)F)ccc2SC1c1cc(Br)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496461
Phase Preclinical
Structure Type MOL
InChI Key QGXBZTILQIMNDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.2
MW (Da)
4.96
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9BrF3NO2S
MW 404.21
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
18680269 10.1021/jm701605f Calcium-activated potassium channel subunit alpha-1 2

Data from ChEMBL 36 via Core Engine