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Compound Detail

CHEMBL476338

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FC(F)(F)c1cnc(Nc2nc(-c3ccccn3)cs2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL476338
Phase Preclinical
Structure Type MOL
InChI Key JZFSHWNLSKVTCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
5.02
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8ClF3N4S
MW 356.76
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.35

Literature References

PubMed DOI Target Context # Activities
18774291 10.1016/j.bmcl.2008.08.023 Small conductance calcium-activated potassium channel protein 3 2

Data from ChEMBL 36 via Core Engine