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Compound Detail

CHEMBL4777050

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O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)NS(=O)(=O)/C=C/c1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777050
Phase Preclinical
Structure Type MOL
InChI Key MVDKSHNFKYUWMW-ZZXKWVIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
4.30
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9F6N3O3S2
MW 445.37
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
32980515 10.1016/j.bmcl.2020.127571 NACHT, LRR and PYD domains-containing protein 3 2

Data from ChEMBL 36 via Core Engine