Compound Detail
CHEMBL2442787
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Basic Information
| ChEMBL ID | CHEMBL2442787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNUUTXVYAYGIJX-QQNFEUMXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
-0.40
ALogP
5
HBA
5
HBD
101.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL4176 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL2710 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | IC50 | = | 28.0 | nM | 7.55 | Inhibition of bovine kidney alpha-L-fucosidase assessed as inhibition of release... | 24026016 |
| Tissue alpha-L-fucosidase | IC50 | = | 31.0 | nM | 7.51 | Inhibition of human lysosome alpha-L-fucosidase using 4-methylumbelliferyl-alpha... | 24026016 |
| Tissue alpha-L-fucosidase | IC50 | = | 280.0 | nM | 6.55 | 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 | Tissue alpha-L-fucosidase | 3 |
Data from ChEMBL 36 via Core Engine