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

CHEMBL498517

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(Br)cc1C1Sc2ccc(C(F)(F)F)cc2NC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498517
Phase Preclinical
Structure Type MOL
InChI Key YGPQCRWCIQYNAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.3
MW (Da)
6.06
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.58
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrF3NOS2
MW 434.30
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.20

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