Compound Detail
CHEMBL5594749
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Basic Information
| ChEMBL ID | CHEMBL5594749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSYZTQXLIJIXLG-JYVUFNORSA-N |
| Parent Compound | CHEMBL6069066 |
| Active Moiety | CHEMBL6069066 |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
1.71
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucosylceramidase CHEMBL1275219 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 5.328 | 50.0 | 5 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucosylceramidase | IC50 | = | 47.0 | nM | 7.33 | Inhibition of bovine liver beta-glucosidase using p-nitrophenyl glycoside as sub... | 38878517 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycoside as s... | 38878517 |
| Unchecked | IC50 | = | 470.0 | nM | 6.33 | Inhibition of almond beta-glucosidase using p-nitrophenyl glycoside as substrate... | 38878517 |
| Lysosomal acid glucosylceramidase | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of human lysosome beta-glucosidase using p-nitrophenyl glycoside as s... | 38878517 |
| Unchecked | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of snail beta-mannosidase using p-nitrophenyl glycoside as substrate ... | 38878517 |
| Unchecked | IC50 | = | 54000.0 | nM | 4.27 | Inhibition of Escherichia coli beta-glucuronidase using p-nitrophenyl glycoside ... | 38878517 |
| Unchecked | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of Aspergillus niger amyloglucosidase using p-nitrophenyl glycoside a... | 38878517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38878517 | 10.1016/j.ejmech.2024.116570 | Unchecked | 9 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Alpha-glucosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Acidic alpha-glucosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Glucosylceramidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Alpha-galactosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Alpha-mannosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Lysosomal alpha-glucosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Lysosomal acid glucosylceramidase | 1 |
Data from ChEMBL 36 via Core Engine