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

CHEMBL1641743

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
CCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1641743
Phase Preclinical
Structure Type MOL
InChI Key ZHCDSIQDIBIMCV-BJDJZHNGSA-N
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
0.40
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H25NO3
MW 231.34
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.89

Activity Summary

IC50 10 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
 IC50 6.62 5.71 240.0 4
Unchecked
CHEMBL612545
 IC50 6.62 6.34 240.0 2
Acidic alpha-glucosidase
CHEMBL3513
 IC50 6.42 6.42 380.0 2
Lysosomal alpha-glucosidase
CHEMBL2608
 IC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sucrase-isomaltase, intestinal IC50 = 240.0 nM 6.62 Inhibition of Wistar rat small intestine sucrase after 30 mins 21185187
Sucrase-isomaltase, intestinal IC50 = 240.0 nM 6.62 Inhibition of rat intestinal sucrase using sucrose as substrate 23106358
Unchecked IC50 = 240.0 nM 6.62 Inhibition of rat intestinal Sucrase assessed as released D-glucose incubated fo... 37314161
Acidic alpha-glucosidase IC50 = 380.0 nM 6.42 Inhibition of Wistar rat small intestine maltase after 30 mins 21185187
Acidic alpha-glucosidase IC50 = 380.0 nM 6.42 Inhibition of rat intestinal maltase using moltose as substrate 23106358
Unchecked IC50 = 880.0 nM 6.06 Inhibition of rat intestinal maltase assessed as released D-glucose incubated fo... 37314161
Lysosomal alpha-glucosidase IC50 = 2100.0 nM 5.68 Inhibition of human lysosomal acid alpha-glucosidase incubated for 30 mins by fl... 37314161
Sucrase-isomaltase, intestinal IC50 = 16000.0 nM 4.8 Inhibition of Wistar rat small intestine isomaltase after 30 mins 21185187
Sucrase-isomaltase, intestinal IC50 = 16000.0 nM 4.8 Inhibition of rat intestinal isomaltase using isomaltase as substrate 23106358

Literature References

PubMed DOI Target Context # Activities
37314161 10.1021/acs.jmedchem.3c00637 Unchecked 4
21185187 10.1016/j.bmcl.2010.11.112 Sucrase-isomaltase, intestinal 2
23106358 10.1021/jm301304e Sucrase-isomaltase, intestinal 2
21185187 10.1016/j.bmcl.2010.11.112 Acidic alpha-glucosidase 1
21185187 10.1016/j.bmcl.2010.11.112 Unchecked 1
21185187 10.1016/j.bmcl.2010.11.112 Lactase/phlorizin hydrolase 1
23106358 10.1021/jm301304e Acidic alpha-glucosidase 1
37314161 10.1021/acs.jmedchem.3c00637 Lysosomal alpha-glucosidase 1
37314161 10.1021/acs.jmedchem.3c00637 Lysosomal acid glucosylceramidase 1
37314161 10.1021/acs.jmedchem.3c00637 Alpha-glucosidase 1

Data from ChEMBL 36 via Core Engine