Compound Detail
CHEMBL2414818
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O=C(/C=C/c1ccccc1)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2414818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSQQQCBNBXRKSQ-OVKHREGHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
-1.34
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oligo-1,6-glucosidase IMA1 CHEMBL5848 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oligo-1,6-glucosidase IMA1 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as 4-nitrophen... | 23810673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23810673 | 10.1016/j.bmc.2013.06.002 | Sucrase-isomaltase, intestinal | 1 |
| 23810673 | 10.1016/j.bmc.2013.06.002 | Acidic alpha-glucosidase | 1 |
| 23810673 | 10.1016/j.bmc.2013.06.002 | Oligo-1,6-glucosidase IMA1 | 1 |
Data from ChEMBL 36 via Core Engine