Compound Detail
CHEMBL3966025
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Basic Information
| ChEMBL ID | CHEMBL3966025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBRAQQUMMCVTAV-FKSUSPILSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
-2.82
ALogP
5
HBA
5
HBD
101.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.58 | 5.1875 | 2600.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2600.0 | nM | 5.58 | Non-competitive inhibition of bovine kidney beta-N-acetylglucosaminidase using p... | 26564401 |
| Unchecked | Ki | = | 2600.0 | nM | 5.58 | Non-competitive inhibition of jack bean beta-N-acetylglucosaminidase using p-nit... | 26564401 |
| Unchecked | Ki | = | 5600.0 | nM | 5.25 | Competitive inhibition of human placental beta-N-acetylglucosaminidase using p-n... | 26564401 |
| Unchecked | Ki | = | 46000.0 | nM | 4.34 | Non-competitive inhibition of jack bean beta-N-acetylglucosaminidase using p-nit... | 26564401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26564401 | 10.1016/j.ejmech.2015.10.038 | Unchecked | 13 |
| 26564401 | 10.1016/j.ejmech.2015.10.038 | Alpha-mannosidase | 1 |
| 26564401 | 10.1016/j.ejmech.2015.10.038 | Uncharacterized protein | 1 |
| 26564401 | 10.1016/j.ejmech.2015.10.038 | Alpha-galactosidase | 1 |
Data from ChEMBL 36 via Core Engine