Compound Detail
CHEMBL80148
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Basic Information
| ChEMBL ID | CHEMBL80148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBVOJPDDTVFNFJ-HSUXUTPPSA-N |
2
Targets
9
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
-1.99
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.19
Ki 2 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-mannosidase 2 CHEMBL2257 | Ki | 4.29 | 4.29 | 51000.0 | 1 |
| Alpha-mannosidase 2 CHEMBL2257 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 4.16 | 4.08 | 70000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-mannosidase 2 | Ki | = | 51000.0 | nM | 4.29 | Competitive Inhibitory activity against Golgi Alpha-mannosidase II | 7608901 |
| Alpha-mannosidase 2 | IC50 | = | 64000.0 | nM | 4.19 | Inhibition of golgi Alpha-mannosidase II in rat liver | 7608901 |
| Sucrase-isomaltase, intestinal | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of Sucrase in rat intestinal brush border membranes by D-glucose oxid... | 7608901 |
| Sucrase-isomaltase, intestinal | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Glycosidases (isomaltase)in rat intestinal brush border membranes ... | 7608901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7608901 | 10.1021/jm00013a012 | Unchecked | 4 |
| 7608901 | 10.1021/jm00013a012 | Sucrase-isomaltase, intestinal | 2 |
| 7608901 | 10.1021/jm00013a012 | Alpha-mannosidase 2 | 2 |
| 7608901 | 10.1021/jm00013a012 | MT4 | 2 |
| 7608901 | 10.1021/jm00013a012 | MOLT-4 | 2 |
| 7608901 | 10.1021/jm00013a012 | Maltase-glucoamylase | 1 |
| 7608901 | 10.1021/jm00013a012 | Trehalase | 1 |
| 7608901 | 10.1021/jm00013a012 | Lactase/phlorizin hydrolase | 1 |
| 7608901 | 10.1021/jm00013a012 | Alpha-mannosidase 2C1 | 1 |
| 7608901 | 10.1021/jm00013a012 | Mannosidase 2, alpha B1 | 1 |
Data from ChEMBL 36 via Core Engine