Compound Detail
CHEMBL1163562
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Basic Information
| ChEMBL ID | CHEMBL1163562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJRPURFURDDUBK-DAWVFNFOSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
-0.36
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-galactosidase CHEMBL5217 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Alpha-galactosidase A CHEMBL2524 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| Probable alpha-glucosidase Os06g0675700 CHEMBL1163102 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-galactosidase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release ... | 20457528 |
| Alpha-galactosidase A | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of human lysosome alpha-galactosidase assessed as p-nitrophenol relea... | 20457528 |
| Probable alpha-glucosidase Os06g0675700 | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of rice alpha-glucosidase assessed as D-glucose release at pH 5 after... | 20457528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20457528 | 10.1016/j.bmc.2010.04.048 | Unchecked | 7 |
| 20457528 | 10.1016/j.bmc.2010.04.048 | Probable alpha-glucosidase Os06g0675700 | 1 |
| 20457528 | 10.1016/j.bmc.2010.04.048 | Beta-glucosidase A | 1 |
| 20457528 | 10.1016/j.bmc.2010.04.048 | Alpha-galactosidase | 1 |
| 20457528 | 10.1016/j.bmc.2010.04.048 | Alpha-galactosidase A | 1 |
| 20457528 | 10.1016/j.bmc.2010.04.048 | Beta-mannosidase | 1 |
| 20457528 | 10.1016/j.bmc.2010.04.048 | Lactase/phlorizin hydrolase | 1 |
| 20457528 | 10.1016/j.bmc.2010.04.048 | Tissue alpha-L-fucosidase | 1 |
| 20457528 | 10.1016/j.bmc.2010.04.048 | Uncharacterized protein | 1 |
Data from ChEMBL 36 via Core Engine