Compound Detail
CHEMBL539176
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Basic Information
| ChEMBL ID | CHEMBL539176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBMBXISTZSRUKB-QKTGSRQTSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
-4.77
ALogP
8
HBA
8
HBD
168.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Ki 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL4176 | Ki | 7.72 | 7.5233 | 19.0 | 3 |
| Tissue alpha-L-fucosidase CHEMBL4176 | IC50 | 7.7 | 7.45 | 20.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | Ki | = | 19.0 | nM | 7.72 | Compound was tested for inhibitory activity against alpha-Fucosidase obtained fr... | 9873733 |
| Tissue alpha-L-fucosidase | IC50 | = | 20.0 | nM | 7.7 | Compound was tested for inhibitory activity against alpha-Fucosidase obtained fr... | 9873733 |
| Tissue alpha-L-fucosidase | Ki | = | 30.0 | nM | 7.52 | Compound was tested for inhibitory activity against alpha-Fucosidase obtained fr... | 9873733 |
| Tissue alpha-L-fucosidase | IC50 | = | 40.0 | nM | 7.4 | Compound was tested for inhibitory activity against alpha-Fucosidase obtained fr... | 9873733 |
| Tissue alpha-L-fucosidase | Ki | = | 47.0 | nM | 7.33 | Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtaine... | 9873733 |
| Tissue alpha-L-fucosidase | IC50 | = | 56.0 | nM | 7.25 | Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtaine... | 9873733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873733 | 10.1016/s0960-894x(98)00617-9 | Tissue alpha-L-fucosidase | 6 |
Data from ChEMBL 36 via Core Engine