Compound Detail
CHEMBL2442258
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Basic Information
| ChEMBL ID | CHEMBL2442258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVSZHOAOIZMVHV-YQXRAVKXSA-N |
3
Targets
7
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
-3.26
ALogP
6
HBA
5
HBD
104.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 7.7 | 6.064 | 20.0 | 5 |
| Maltase-glucoamylase CHEMBL2074 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2723000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2278000.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acidic alpha-glucosidase | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity measured against alpha-glucosidase of rat intestinal sucrase... | 9651160 |
| Maltase-glucoamylase | IC50 | = | 60.0 | nM | 7.22 | Inhibitory activity measured against alpha-glucosidase of rice by colorimetric a... | 9651160 |
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Inhibition of rat intestinal alpha-glucosidase using sucrose as substrate assess... | 23993676 |
| Acidic alpha-glucosidase | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity measured against alpha-glucosidase of rat intestinal maltase... | 9651160 |
| Acidic alpha-glucosidase | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity measured against alpha-glucosidase of rat liver lysosomal by... | 9651160 |
| Acidic alpha-glucosidase | IC50 | = | 2800.0 | nM | 5.55 | Inhibitory activity measured against alpha-glucosidase of rat intestinal isomalt... | 9651160 |
| Acidic alpha-glucosidase | IC50 | = | 50000.0 | nM | 4.3 | Inhibitory activity measured against alpha-glucosidase of rat liver ER glucosida... | 9651160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23993676 | 10.1016/j.bmc.2013.07.048 | Mus musculus | 8 |
| 9651160 | 10.1021/jm970836l | Acidic alpha-glucosidase | 5 |
| 9651160 | 10.1021/jm970836l | Maltase-glucoamylase | 1 |
| 23993676 | 10.1016/j.bmc.2013.07.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine