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Compound Detail

CHEMBL4749533

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O=C(Nc1ncccc1C(=O)O)c1ccc(SC(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749533
Phase Preclinical
Structure Type MOL
InChI Key MXERNDCZINGZDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
3.64
ALogP
4
HBA
2
HBD
79.3
PSA (Ų)
0.83
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 C14H9F3N2O3S
MW 342.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
31072652 10.1016/j.bmcl.2019.04.048 Potassium channel subfamily K member 10 2
31072652 10.1016/j.bmcl.2019.04.048 Potassium channel subfamily K member 2 2

Data from ChEMBL 36 via Core Engine