Compound Detail
CHEMBL5090583
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Basic Information
| ChEMBL ID | CHEMBL5090583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDCCTFVPMAHPSF-NGJCXOISSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
-1.94
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.13 | 5.465 | 740.0 | 2 |
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Lysosomal alpha-glucosidase CHEMBL2608 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 740.0 | nM | 6.13 | Inhibition of rat intestinal maltase | 35072486 |
| Acidic alpha-glucosidase | IC50 | = | 830.0 | nM | 6.08 | Inhibition of rat intestinal maltase assessed as release of D-glucose using malt... | 35255314 |
| Sucrase-isomaltase, intestinal | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of rat intestinal sucrase assessed as release of p-nitrophenol using ... | 35255314 |
| Lysosomal alpha-glucosidase | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human lysosomal alpha glucosidase assessed as release of p-nitroph... | 35255314 |
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of rice alpha-glucosidase assessed as release of p-nitrophenol using ... | 35255314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35255314 | 10.1016/j.ejmech.2022.114230 | Unchecked | 11 |
| 35072486 | 10.1021/acs.jmedchem.1c01673 | Unchecked | 1 |
| 35255314 | 10.1016/j.ejmech.2022.114230 | Acidic alpha-glucosidase | 1 |
| 35255314 | 10.1016/j.ejmech.2022.114230 | Sucrase-isomaltase, intestinal | 1 |
| 35255314 | 10.1016/j.ejmech.2022.114230 | Lysosomal alpha-glucosidase | 1 |
| 35255314 | 10.1016/j.ejmech.2022.114230 | Alpha-galactosidase | 1 |
| 35255314 | 10.1016/j.ejmech.2022.114230 | Alpha-mannosidase | 1 |
| 35255314 | 10.1016/j.ejmech.2022.114230 | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine