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Compound Detail

CHEMBL3138585

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O=C1CCCC2=C1[C@H](c1ccc(F)c(-c3cccs3)c1)C1=C(CCS1(=O)=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138585
Phase Preclinical
Structure Type MOL
InChI Key FUXIIWSKHWWPCB-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
4.28
ALogP
5
HBA
1
HBD
63.2
PSA (Ų)
0.80
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 C21H18FNO3S2
MW 415.51
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.27

Literature References

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

Data from ChEMBL 36 via Core Engine