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Compound Detail

CHEMBL4566182

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O=c1cc(-c2cccc(OCc3cccc(SC(F)(F)F)c3)c2)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4566182
Phase Preclinical
Structure Type MOL
InChI Key MAPYYNNKRSTCEQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
6.65
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15F3O3S
MW 428.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1200.0 nM 5.92 Inhibition of yeast alpha-glucosidase 31112894

Literature References

PubMed DOI Target Context # Activities
31112894 10.1016/j.ejmech.2019.04.025 Unchecked 1

Data from ChEMBL 36 via Core Engine