Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5202712

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc([C@@]2(CO)NC[C@H](O)[C@H]2O)cc1

Basic Information

ChEMBL ID CHEMBL5202712
Phase Preclinical
Structure Type MOL
InChI Key ZIJKOKJAWVSURB-QJPTWQEYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
-0.79
ALogP
5
HBA
4
HBD
82.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17NO4
MW 239.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.67

Activity Summary

IC50 4 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 6.48 6.48 330.0 1
Acidic alpha-glucosidase
CHEMBL3513
IC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35255314 10.1016/j.ejmech.2022.114230 Sucrase-isomaltase, intestinal 2
35255314 10.1016/j.ejmech.2022.114230 Unchecked 2
35255314 10.1016/j.ejmech.2022.114230 Acidic alpha-glucosidase 1
35255314 10.1016/j.ejmech.2022.114230 Lysosomal alpha-glucosidase 1

Data from ChEMBL 36 via Core Engine