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Compound Detail

CHEMBL2368788

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CO[C@H]1O[C@@H](CNC2=N[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL2368788
Phase Preclinical
Structure Type MOL
InChI Key QSHILOJHYOMXDU-IJVFZIQXSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

352.3
MW (Da)
-5.11
ALogP
11
HBA
8
HBD
184.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H24N2O9
MW 352.34
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.51

Activity Summary

Ki 3 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.58 5.58 2600.0 1
Lysosomal alpha-glucosidase
CHEMBL2608
Ki 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 2600.0 nM 5.58 Inhibition against Alpha-maninosidase in jack bean -
Lysosomal alpha-glucosidase Ki = 100000.0 nM 4.0 Inhibition against beta-glucosidase in sweet almond -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00474-8 Unchecked 1
- 10.1016/0960-894X(95)00474-8 Beta-mannosidase 1
- 10.1016/0960-894X(95)00474-8 Lysosomal alpha-glucosidase 1
- 10.1016/0960-894X(95)00474-8 Beta-galactosidase 1

Data from ChEMBL 36 via Core Engine