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Compound Detail

CHEMBL498502

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O=C1Nc2cc(C(F)(F)F)ccc2SC1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498502
Phase Preclinical
Structure Type MOL
InChI Key WUHIQRBOSDVUDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
4.49
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.84
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 C15H10F3NOS
MW 309.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
18680269 10.1021/jm701605f Calcium-activated potassium channel subunit alpha-1 2

Data from ChEMBL 36 via Core Engine