Compound Detail
CHEMBL5028072
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Basic Information
| ChEMBL ID | CHEMBL5028072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPLOMDSEODCTNS-BNHYGAARSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
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 | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Ki 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Lysosomal alpha-glucosidase CHEMBL2608 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Glycosidase (unknown origin) | 35072486 |
| Lysosomal alpha-glucosidase | Ki | = | 37000.0 | nM | 4.43 | Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as su... | 35072486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35072486 | 10.1021/acs.jmedchem.1c01673 | Lysosomal alpha-glucosidase | 2 |
| 35072486 | 10.1021/acs.jmedchem.1c01673 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine