Compound Detail
CHEMBL2442776
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2442776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBPZWWWMCXGUGR-URWOTSEESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
0.45
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL4176 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL2710 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | IC50 | = | 86.0 | nM | 7.07 | Inhibition of human lysosome alpha-L-fucosidase using 4-methylumbelliferyl-alpha... | 24026016 |
| Tissue alpha-L-fucosidase | IC50 | = | 190.0 | nM | 6.72 | Inhibition of bovine kidney alpha-L-fucosidase assessed as inhibition of release... | 24026016 |
| Tissue alpha-L-fucosidase | IC50 | = | 430.0 | nM | 6.37 | Inhibition of rat epididymis alpha-L-fucosidase assessed as inhibition of releas... | 24026016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24026016 | 10.1016/j.bmc.2013.08.028 | Unchecked | 5 |
| 24026016 | 10.1016/j.bmc.2013.08.028 | Tissue alpha-L-fucosidase | 3 |
| 24026016 | 10.1016/j.bmc.2013.08.028 | Beta-galactosidase | 1 |
| 24026016 | 10.1016/j.bmc.2013.08.028 | Alpha-galactosidase | 1 |
Data from ChEMBL 36 via Core Engine