Compound Detail
CHEMBL114103
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Basic Information
| ChEMBL ID | CHEMBL114103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVTBPJSCVHDHKU-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
-2.67
ALogP
6
HBA
4
HBD
101.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Ki 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL4176 | Ki | 8.82 | 8.2933 | 1.5 | 3 |
| Tissue alpha-L-fucosidase CHEMBL4176 | IC50 | 8.4 | 8.1067 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | Ki | = | 1.5 | nM | 8.82 | Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtaine... | 9873733 |
| Tissue alpha-L-fucosidase | IC50 | = | 4.0 | nM | 8.4 | Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtaine... | 9873733 |
| Tissue alpha-L-fucosidase | Ki | = | 8.0 | nM | 8.1 | Compound was tested for inhibitory activity against alpha-Fucosidase obtained fr... | 9873733 |
| Tissue alpha-L-fucosidase | IC50 | = | 11.0 | nM | 7.96 | Compound was tested for inhibitory activity against alpha-Fucosidase obtained fr... | 9873733 |
| Tissue alpha-L-fucosidase | IC50 | = | 11.0 | nM | 7.96 | Compound was tested for inhibitory activity against alpha-Fucosidase obtained fr... | 9873733 |
| Tissue alpha-L-fucosidase | Ki | = | 11.0 | nM | 7.96 | Compound was tested for inhibitory activity against alpha-Fucosidase obtained fr... | 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