Compound Detail
CHEMBL5593542
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Basic Information
| ChEMBL ID | CHEMBL5593542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZVMAVZYMXZJOE-IPKIFZQUSA-N |
| Parent Compound | CHEMBL6069059 |
| Active Moiety | CHEMBL6069059 |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
2.10
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.96
EC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.695 | 11000.0 | 2 |
| Glucosylceramidase CHEMBL1275219 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
| MKN-45 CHEMBL614354 | EC50 | 4.38 | 4.38 | 41500.0 | 1 |
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycoside as s... | 38878517 |
| Glucosylceramidase | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of bovine liver beta-glucosidase using p-nitrophenyl glycoside as sub... | 38878517 |
| Unchecked | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of rice alpha-glucosidase using p-nitrophenyl glycoside as substrate ... | 38878517 |
| MKN-45 | EC50 | = | 41500.0 | nM | 4.38 | Antitumor activity against human MKN-45 cells assessed as inhibition of cell gro... | 38878517 |
| Lysosomal acid glucosylceramidase | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of human lysosome beta-glucosidase using p-nitrophenyl glycoside as s... | 38878517 |
| Acidic alpha-glucosidase | IC50 | = | 95000.0 | nM | 4.02 | Inhibition of rat intestinal alpha-glucosidase using p-nitrophenyl glycoside as ... | 38878517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38878517 | 10.1016/j.ejmech.2024.116570 | Unchecked | 9 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | Acidic alpha-glucosidase | 1 |
| 38878517 | 10.1016/j.ejmech.2024.116570 | 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 | MKN-45 | 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