Compound Detail
CHEMBL2418235
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COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL2418235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQPUWQFQDKVXMD-MTDSJYKWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
-0.83
ALogP
8
HBA
5
HBD
136.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 4.29 | 4.29 | 51930.0 | 1 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 4.17 | 4.17 | 67210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acidic alpha-glucosidase | IC50 | = | 51930.0 | nM | 4.29 | Inhibition of rat intestine maltase using maltose as substrate incubated for 10 ... | 23811091 |
| Sucrase-isomaltase, intestinal | IC50 | = | 67210.0 | nM | 4.17 | Inhibition of rat intestine sucrase using sucrose as substrate incubated for 10 ... | 23811091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23811091 | 10.1016/j.ejmech.2013.05.047 | Radical scavenging activity | 1 |
| 23811091 | 10.1016/j.ejmech.2013.05.047 | Sucrase-isomaltase, intestinal | 1 |
| 23811091 | 10.1016/j.ejmech.2013.05.047 | Acidic alpha-glucosidase | 1 |
| 23811091 | 10.1016/j.ejmech.2013.05.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine