Compound Detail
CHEMBL5272913
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Basic Information
| ChEMBL ID | CHEMBL5272913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SITWLQWCPGXKDE-BIVRFLNRSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
-2.24
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.2267 | 2098.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Aspergillus niger amyloglucosidase using p-nitrophenyl glycoside a... | 36332547 |
| Unchecked | IC50 | = | 2098.94 | nM | 5.68 | Inhibition of Aspergillus niger amyloglucosidase using p-nitrophenyl glycoside a... | 36332547 |
| Unchecked | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of rice alpha-glucosidase using p-nitrophenyl glycoside as substrate ... | 36332547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36332547 | 10.1016/j.ejmech.2022.114852 | Unchecked | 12 |
| 36332547 | 10.1016/j.ejmech.2022.114852 | Alpha-glucosidase | 1 |
| 36332547 | 10.1016/j.ejmech.2022.114852 | Alpha-mannosidase | 1 |
| 36332547 | 10.1016/j.ejmech.2022.114852 | Alpha-galactosidase | 1 |
| 36332547 | 10.1016/j.ejmech.2022.114852 | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine