Compound Detail
CHEMBL3936181
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3936181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTLWCGULEPATOC-WHOHXGKFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
-1.44
ALogP
5
HBA
5
HBD
105.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.12 | 4.09 | 75000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 75000.0 | nM | 4.12 | Non-competitive inhibition of jack bean beta-N-acetylglucosaminidase using p-nit... | 26564401 |
| Unchecked | Ki | = | 88000.0 | nM | 4.06 | Non-competitive inhibition of bovine kidney beta-N-acetylglucosaminidase using p... | 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