Compound Detail
CHEMBL4758678
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Basic Information
| ChEMBL ID | CHEMBL4758678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZEQCEOUIYTYBC-YVLHZVERSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.63
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 4.42 | 4.42 | 38400.0 | 1 |
| Alpha-mannosidase CHEMBL3392945 | IC50 | 4.21 | 4.21 | 61400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 27400.0 | nM | 4.56 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate... | 31927314 |
| Tissue alpha-L-fucosidase | IC50 | = | 38400.0 | nM | 4.42 | Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated f... | 31927314 |
| Alpha-mannosidase | IC50 | = | 61400.0 | nM | 4.21 | Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for ... | 31927314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31927314 | 10.1016/j.ejmech.2020.112034 | Unchecked | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Tissue alpha-L-fucosidase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine