Compound Detail
CHEMBL1289017
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Basic Information
| ChEMBL ID | CHEMBL1289017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRBKDBZXOAEMOT-KAZBKCHUSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
-1.94
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.3
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.3 | 4.8767 | 5000.0 | 3 |
| Tissue alpha-L-fucosidase CHEMBL4176 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5000.0 | nM | 5.3 | Inhibition of alpha-galactosidase | 21050758 |
| Tissue alpha-L-fucosidase | Ki | = | 9000.0 | nM | 5.05 | In vitro inhibition of alpha-L-fucosidase isolated from bovine kidney. | 11549468 |
| Unchecked | Ki | = | 9000.0 | nM | 5.05 | Inhibition of alpha-fucosidase | 21050758 |
| Unchecked | Ki | = | 53000.0 | nM | 4.28 | Inhibition of alpha-mannosidase | 21050758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21050758 | 10.1016/j.bmcl.2010.10.043 | Unchecked | 7 |
| 11549468 | 10.1016/s0960-894x(01)00497-8 | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine