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Compound Detail

CHEMBL507244

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COc1ccc(Br)cc1C1C(=O)Nc2cc(C(F)(F)F)ccc2[S+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL507244
Phase Preclinical
Structure Type MOL
InChI Key OFEXVTGABWGWEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.2
MW (Da)
4.28
ALogP
3
HBA
1
HBD
61.4
PSA (Ų)
0.72
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 C16H11BrF3NO3S
MW 434.23
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.62

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