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Compound Detail

CHEMBL497861

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COc1ccc(Br)cc1/C=C1\Sc2ccc(C(F)(F)F)cc2NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497861
Phase Preclinical
Structure Type MOL
InChI Key AHXGOHQFKZZDST-CHHVJCJISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.2
MW (Da)
5.56
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.63
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 C17H11BrF3NO2S
MW 430.25
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.56

Literature References

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

Data from ChEMBL 36 via Core Engine