Compound Detail
CHEMBL13922
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 | CHEMBL13922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRFFNLOQLBWKPJ-UNTFVMJOSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
-2.97
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL4753 | Ki | 5.19 | 5.19 | 6500.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 4.89 | 4.89 | 12800.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.64 | 4.615 | 22700.0 | 2 |
| Lysosomal alpha-glucosidase CHEMBL2608 | Ki | 4.53 | 4.53 | 29400.0 | 1 |
| Alpha-galactosidase A CHEMBL2524 | Ki | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | Ki | = | 6500.0 | nM | 5.19 | Compound was tested for inhibition of beta-galactosidase from aspergillus niger. | - |
| Lysosomal acid glucosylceramidase | Ki | = | 12800.0 | nM | 4.89 | Compound was tested for inhibition of beta-glucosidase from sweet almonds. | - |
| Unchecked | Ki | = | 22700.0 | nM | 4.64 | Compound was tested for inhibition of beta-N-acetylglucosaminidase from jack bea... | - |
| Unchecked | Ki | = | 25700.0 | nM | 4.59 | Compound was tested for inhibition of alpha-mannosidase from jack beans. | - |
| Lysosomal alpha-glucosidase | Ki | = | 29400.0 | nM | 4.53 | Compound was tested for inhibition of alpha-glucosidase from yeast. | - |
| Alpha-galactosidase A | Ki | = | 67000.0 | nM | 4.17 | Compound was tested for inhibition of alpha-galactosidase from green coffee bean... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00183-7 | Unchecked | 2 |
| - | 10.1016/0960-894X(96)00183-7 | Alpha-galactosidase A | 1 |
| - | 10.1016/0960-894X(96)00183-7 | Beta-galactosidase | 1 |
| - | 10.1016/0960-894X(96)00183-7 | Lysosomal alpha-glucosidase | 1 |
| - | 10.1016/0960-894X(96)00183-7 | Lysosomal acid glucosylceramidase | 1 |
| - | 10.1016/0960-894X(96)00183-7 | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine