Compound Detail
CHEMBL227224
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Basic Information
| ChEMBL ID | CHEMBL227224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSAPVEXKCXYFIM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
3.51
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.03 | 5.03 | 9300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of yeast alpha glucosidase at pH 6.8 | 17331734 |
| Unchecked | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of yeast alpha glucosidase in phosphate buffer after 0.5 hrs by spect... | 18632275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18632275 | 10.1016/j.bmc.2008.06.043 | Unchecked | 2 |
| 17331734 | 10.1016/j.bmc.2007.02.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine