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Compound Detail

CHEMBL526824

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COc1ccccc1C1CNc2cc(C(F)(F)F)ccc2S1

Basic Information

ChEMBL ID CHEMBL526824
Phase Preclinical
Structure Type MOL
InChI Key HXHXUZKALDMLGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.97
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.84
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 C16H14F3NOS
MW 325.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 4.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcium-activated potassium channel subunit alpha-1
CHEMBL5505
IC50 4.65 4.65 22387.2 1

Activity Data Samples

Top measurements by pChEMBL value

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