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Compound Detail

CHEMBL5198470

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O=C(C[C@@H]1C(=O)c2ccc(O)cc2O[C@H]1c1ccc(O)cc1)c1ccc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5198470
Phase Preclinical
Structure Type MOL
InChI Key ZGSZKBOYAILLMM-JPYJTQIMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
3.71
ALogP
7
HBA
4
HBD
124.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18O7
MW 406.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 1.19

Activity Summary

IC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.58 4.58 26600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 26600.0 nM 4.58 Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranosid... 35262352

Literature References

PubMed DOI Target Context # Activities
35262352 10.1021/acs.jnatprod.1c00765 Unchecked 1

Data from ChEMBL 36 via Core Engine