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Compound Detail

CHEMBL2111691

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CC1(C)CCC(=O)C2=C1NC1=C([C@@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2111691
Phase Preclinical
Structure Type MOL
InChI Key OFHJGRIVMJHZMU-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.3
MW (Da)
3.95
ALogP
4
HBA
1
HBD
63.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19BrFNO3S
MW 440.33
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
15163196 10.1021/jm030356w Sulfonylurea receptors; K-ATP channels 2

Data from ChEMBL 36 via Core Engine