Compound Detail
CHEMBL2177690
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Basic Information
| ChEMBL ID | CHEMBL2177690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CATONQSSWBTCAE-AJNGGQMLSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
0.45
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 6.66 | 6.66 | 220.0 | 2 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 6.51 | 5.68 | 310.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acidic alpha-glucosidase | IC50 | = | 220.0 | nM | 6.66 | Inhibition of rat intestinal maltase using moltose as substrate | 23106358 |
| Acidic alpha-glucosidase | IC50 | = | 220.0 | nM | 6.66 | Inhibition of Wistar rat intestinal maltase assessed as inhibition of D-glucose ... | 24973028 |
| Sucrase-isomaltase, intestinal | IC50 | = | 310.0 | nM | 6.51 | Inhibition of rat intestinal sucrase using sucrose as substrate | 23106358 |
| Sucrase-isomaltase, intestinal | IC50 | = | 310.0 | nM | 6.51 | Inhibition of Wistar rat intestinal sucrase assessed as inhibition of D-glucose ... | 24973028 |
| Sucrase-isomaltase, intestinal | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of rat intestinal isomaltase using isomaltase as substrate | 23106358 |
| Sucrase-isomaltase, intestinal | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of Wistar rat intestinal isomaltase assessed as inhibition of D-gluco... | 24973028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23106358 | 10.1021/jm301304e | Sucrase-isomaltase, intestinal | 2 |
| 24973028 | 10.1016/j.bmcl.2014.06.001 | Sucrase-isomaltase, intestinal | 2 |
| 23106358 | 10.1021/jm301304e | Acidic alpha-glucosidase | 1 |
| 24973028 | 10.1016/j.bmcl.2014.06.001 | Acidic alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine