Compound Detail
CHEMBL3350284
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Basic Information
| ChEMBL ID | CHEMBL3350284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQEANUUDGAQVBA-DVVUODLYSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
0.13
ALogP
6
HBA
3
HBD
91.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas.
Ki 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL4176 | Ki | 5.05 | 4.935 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | Ki | = | 9000.0 | nM | 5.05 | Inhibition constant (Competitive) against alpha-L-Fucosidase from Bovine epididy... | 12161128 |
| Tissue alpha-L-fucosidase | Ki | = | 15000.0 | nM | 4.82 | Inhibition constant (Competitive)of the compound against alpha-L-Fucosidase from... | 12161128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161128 | 10.1016/s0960-894x(02)00397-9 | Beta-galactosidase | 8 |
| 12161128 | 10.1016/s0960-894x(02)00397-9 | Tissue alpha-L-fucosidase | 6 |
| 12161128 | 10.1016/s0960-894x(02)00397-9 | Unchecked | 4 |
| 12161128 | 10.1016/s0960-894x(02)00397-9 | Alpha-galactosidase A | 1 |
Data from ChEMBL 36 via Core Engine