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

CHEMBL2115197

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
CC[C@H]1NC[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2115197
Phase Preclinical
Structure Type MOL
InChI Key DPKVFORGPDPGQG-NGJCXOISSA-N
6
Targets
19
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

131.2
MW (Da)
-0.91
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H13NO2
MW 131.18
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 2.23

Activity Summary

IC50 15 meas. best 4.77
Ki 4 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-galactosidase
CHEMBL2680
 IC50 4.77 4.77 17000.0 1
Neutral alpha-glucosidase C
CHEMBL3635
 IC50 4.77 4.77 17000.0 1
Beta-glucosidase A
CHEMBL4622
 Ki 4.72 4.72 19000.0 1
Glucoamylase 1
CHEMBL4449
 IC50 4.7 4.7 20000.0 1
Glucoamylase
CHEMBL3745
 IC50 4.51 4.51 31000.0 1
Glucoamylase 1
CHEMBL4449
 Ki 4.36 4.36 44000.0 1
Beta-glucosidase
CHEMBL4192
 Ki 4.28 4.28 53000.0 1
Glucoamylase
CHEMBL3745
 Ki 4.19 4.19 64000.0 1
Beta-glucosidase A
CHEMBL4622
 IC50 4.07 4.07 85000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neutral alpha-glucosidase C IC50 = 17000.0 nM 4.77 Concentration that causes 50% inhibition of mammalian alpha-glucosidase (isomalt... 7966130
Beta-galactosidase IC50 = 17000.0 nM 4.77 Concentration that causes 50% inhibition of mammalian lactase beta-galactosidase... 7966130
Beta-glucosidase A Ki = 19000.0 nM 4.72 Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol 11549453
Glucoamylase 1 IC50 = 20000.0 nM 4.7 Inhibitory activity towards Alpha-glucosidase from Rhizopus mold (amyloglucosida... 11549453
Glucoamylase IC50 = 31000.0 nM 4.51 Inhibitory activity towards Alpha-glucosidase from Aspergillus niger (amylogluco... 11549453
Glucoamylase 1 Ki = 44000.0 nM 4.36 Inhibitory activity towards Alpha-glucosidase from Rhizopus mold (amyloglucosida... 11549453
Beta-glucosidase Ki = 53000.0 nM 4.28 Inhibitory activity towards Beta-Glucosidase from Almond 11549453
Glucoamylase Ki = 64000.0 nM 4.19 Inhibitory activity towards Alpha-glucosidase from Aspergillus niger (amylogluco... 11549453
Beta-glucosidase A IC50 = 85000.0 nM 4.07 Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol. 11549453

Literature References

PubMed DOI Target Context # Activities
7966130 10.1021/jm00048a006 Neutral alpha-glucosidase AB 5
7966130 10.1021/jm00048a006 Beta-galactosidase 5
11549453 10.1016/s0960-894x(01)00477-2 Unchecked 4
11549453 10.1016/s0960-894x(01)00477-2 Beta-galactosidase 4
11549453 10.1016/s0960-894x(01)00477-2 Alpha-mannosidase 3
11549453 10.1016/s0960-894x(01)00477-2 Beta-glucosidase A 3
11549453 10.1016/s0960-894x(01)00477-2 Beta-glucosidase 3
11549453 10.1016/s0960-894x(01)00477-2 Glucoamylase 1 3
11549453 10.1016/s0960-894x(01)00477-2 Glucoamylase 3
7966130 10.1021/jm00048a006 Beta-glucosidase A 2
7966130 10.1021/jm00048a006 Acidic alpha-glucosidase 2
7966130 10.1021/jm00048a006 Trehalase 2
11549453 10.1016/s0960-894x(01)00477-2 Alpha-glucosidase 1
7966130 10.1021/jm00048a006 Tissue alpha-L-fucosidase 1
7966130 10.1021/jm00048a006 Alpha-glucosidase 1
7966130 10.1021/jm00048a006 Unchecked 1
7966130 10.1021/jm00048a006 Neutral alpha-glucosidase C 1

Data from ChEMBL 36 via Core Engine