Compound Detail
CHEMBL316082
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Basic Information
| ChEMBL ID | CHEMBL316082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWNXRLQSHNQYNX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
-0.91
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL4176 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL4176 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | Ki | = | 180.0 | nM | 6.75 | Binding affinity against alpha-L-fucosidase in bovine kidney was determined | 12270152 |
| Tissue alpha-L-fucosidase | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of bovine kidney alpha-L-fucosidase | 12270152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12270152 | 10.1016/s0960-894x(02)00627-3 | Tissue alpha-L-fucosidase | 2 |
| 12270152 | 10.1016/s0960-894x(02)00627-3 | Beta-galactosidase | 1 |
Data from ChEMBL 36 via Core Engine