Compound Detail
CHEMBL2114210
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Basic Information
| ChEMBL ID | CHEMBL2114210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLVUFWXGNIFGNC-KVTDHHQDSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
-3.61
ALogP
6
HBA
6
HBD
113.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.8
Ki 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maltase-glucoamylase CHEMBL2074 | Ki | 5.21 | 5.21 | 6200.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL2710 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 4.57 | 4.455 | 27000.0 | 2 |
| Tissue alpha-L-fucosidase CHEMBL4176 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maltase-glucoamylase | Ki | = | 6200.0 | nM | 5.21 | Compound was tested for binding affinity against alpha-glucosidase | 9651160 |
| Tissue alpha-L-fucosidase | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory activity measured against alpha-L-fucosidase of rat epididymis by col... | 9651160 |
| Acidic alpha-glucosidase | IC50 | = | 27000.0 | nM | 4.57 | Inhibitory activity measured against alpha-glucosidase of rat intestinal sucrase... | 9651160 |
| Tissue alpha-L-fucosidase | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by ... | 9651160 |
| Acidic alpha-glucosidase | IC50 | = | 46000.0 | nM | 4.34 | Inhibitory activity measured against alpha-glucosidase of rat intestinal maltase... | 9651160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651160 | 10.1021/jm970836l | Acidic alpha-glucosidase | 3 |
| 9651160 | 10.1021/jm970836l | Maltase-glucoamylase | 2 |
| 9651160 | 10.1021/jm970836l | Unchecked | 2 |
| 9651160 | 10.1021/jm970836l | Tissue alpha-L-fucosidase | 2 |
| 9651160 | 10.1021/jm970836l | Trehalase | 1 |
| 9651160 | 10.1021/jm970836l | Alpha-galactosidase A | 1 |
Data from ChEMBL 36 via Core Engine