Compound Detail
CHEMBL503021
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Basic Information
| ChEMBL ID | CHEMBL503021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEWFPWKROPWRKE-XUUWZHRGSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
-2.58
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.1 | 4.5967 | 8000.0 | 3 |
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 4.75 | 4.735 | 18000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of rice alpha-glucosidase assessed as D-glucose release after 10 mins... | 12502331 |
| Acidic alpha-glucosidase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of rat intestinal maltase assessed as D-glucose release after 30 mins... | 12502331 |
| Acidic alpha-glucosidase | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of rat liver lysosome alpha-glucosidase assessed as D-glucose release... | 12502331 |
| Unchecked | IC50 | = | 22130.0 | nM | 4.66 | Inhibition of rat intestinal alpha-glucosidase using sucrose as substrate assess... | 23993676 |
| Unchecked | IC50 | = | 94000.0 | nM | 4.03 | Inhibition of Penicillium decumbens alpha-L-rhamnosidase assessed as p-nitrophen... | 12502331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502331 | 10.1021/np020296h | Unchecked | 2 |
| 12502331 | 10.1021/np020296h | Acidic alpha-glucosidase | 2 |
| 12502331 | 10.1021/np020296h | Beta-galactosidase | 1 |
| 12502331 | 10.1021/np020296h | Oligo-1,6-glucosidase IMA1 | 1 |
| 12502331 | 10.1021/np020296h | Beta-glucosidase A | 1 |
| 12502331 | 10.1021/np020296h | Beta-mannosidase | 1 |
| 12502331 | 10.1021/np020296h | Tissue alpha-L-fucosidase | 1 |
| 23993676 | 10.1016/j.bmc.2013.07.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine