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Compound Detail

CHEMBL498518

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COc1ccc(Br)cc1C1CNc2cc(C(F)(F)F)ccc2S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498518
Phase Preclinical
Structure Type MOL
InChI Key QBUCWYPAHYNZRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.2
MW (Da)
5.74
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.69
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 C16H13BrF3NOS
MW 404.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.93

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