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Compound Detail

CHEMBL3753427

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COC(=O)[C@]1(Cc2ccccc2)OC(=O)C(O)=C1c1ccccc1

Basic Information

ChEMBL ID CHEMBL3753427
Phase Preclinical
Structure Type MOL
InChI Key ZBPZVOKACTVJJJ-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
2.67
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16O5
MW 324.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.20

Activity Summary

IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.42 6.42 385.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 385.0 nM 6.42 Inhibition of Saccharomyces cerevisiae alpha-Glucosidase using p-nitrophenyl-alp... 26706176

Literature References

PubMed DOI Target Context # Activities
26706176 10.1016/j.bmcl.2015.12.009 Unchecked 1

Data from ChEMBL 36 via Core Engine