Compound Detail
CHEMBL111326
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
Basic Information
| ChEMBL ID | CHEMBL111326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRCJBMPQQMMCPE-JGWLITMVSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
-1.99
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutral alpha-glucosidase AB CHEMBL2519 | Ki | 5.1 | 4.6975 | 8000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutral alpha-glucosidase AB | Ki | = | 8000.0 | nM | 5.1 | Competitive Inhibition constant on rice alpha Glucosidase at pH 8.0 | - |
| Neutral alpha-glucosidase AB | Ki | = | 15000.0 | nM | 4.82 | Competitive Inhibition constant on rice alpha Glucosidase at pH 5.0 | - |
| Neutral alpha-glucosidase AB | Ki | = | 29000.0 | nM | 4.54 | Competitive Inhibition constant on yeast alpha Glucosidase at pH 6.0 | - |
| Neutral alpha-glucosidase AB | Ki | = | 47000.0 | nM | 4.33 | Competitive Inhibition constant on yeast alpha Glucosidase at pH 7.0 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80648-4 | Neutral alpha-glucosidase AB | 5 |
| - | 10.1016/S0960-894X(00)80648-4 | Lysosomal acid glucosylceramidase | 2 |
Data from ChEMBL 36 via Core Engine