Compound Detail
CHEMBL3895004
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Basic Information
| ChEMBL ID | CHEMBL3895004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVGBGYHXZAPMMS-LJISPDSOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
-1.04
ALogP
5
HBA
5
HBD
105.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.23 | 5.0567 | 5900.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5900.0 | nM | 5.23 | Non-competitive inhibition of bovine kidney beta-N-acetylglucosaminidase using p... | 26564401 |
| Unchecked | Ki | = | 8600.0 | nM | 5.07 | Competitive inhibition of human placental beta-N-acetylglucosaminidase using p-n... | 26564401 |
| Unchecked | Ki | = | 13400.0 | nM | 4.87 | 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 | 11 |
| 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