Compound Detail
CHEMBL2115269
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Basic Information
| ChEMBL ID | CHEMBL2115269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRXWNPSUBPQINT-IECVIRLLSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
-1.56
ALogP
4
HBA
4
HBD
86.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL4176 | Ki | 7.92 | 6.72 | 12.0 | 3 |
| Tissue alpha-L-fucosidase CHEMBL4176 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | Ki | = | 12.0 | nM | 7.92 | The compound was tested for the inhibitory activity against alpha-L-Fucosidase i... | 11858994 |
| Tissue alpha-L-fucosidase | Ki | = | 200.0 | nM | 6.7 | The compound was tested for the inhibitory activity against alpha-L-Fucosidase i... | 11858994 |
| Tissue alpha-L-fucosidase | Ki | = | 2900.0 | nM | 5.54 | Binding affinity against alpha-L-fucosidase in bovine kidney was determined | 12270152 |
| Tissue alpha-L-fucosidase | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of bovine kidney alpha-L-fucosidase | 12270152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11858994 | 10.1016/s0960-894x(02)00004-5 | Tissue alpha-L-fucosidase | 2 |
| 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