Compound Detail
CHEMBL203969
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Basic Information
| ChEMBL ID | CHEMBL203969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNAOURWCCAEPNE-DHVFOXMCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
-2.62
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase CHEMBL3545 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue alpha-L-fucosidase | Ki | = | 1.0 | nM | 9.0 | Inhibition of bovine alpha-L-fucosidase | 16376079 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16376079 | 10.1016/j.bmcl.2005.11.100 | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine