Compound Detail
CHEMBL4081664
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Basic Information
| ChEMBL ID | CHEMBL4081664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTMUKXWXXQKIQC-SRABZTEZSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
0.30
ALogP
5
HBA
5
HBD
101.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-galactosidase A CHEMBL2524 | Ki | 5.7 | 5.405 | 2000.0 | 2 |
| Alpha-galactosidase A CHEMBL2524 | IC50 | 5.68 | 5.33 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-galactosidase A | Ki | = | 2000.0 | nM | 5.7 | Non-competitive inhibition of recombinant human alpha GAL-A using varying levels... | 27744182 |
| Alpha-galactosidase A | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-g... | 27744182 |
| Alpha-galactosidase A | Ki | = | 7700.0 | nM | 5.11 | Non-competitive inhibition of recombinant human alpha GAL-A using varying levels... | 27744182 |
| Alpha-galactosidase A | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-g... | 27744182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27744182 | 10.1016/j.ejmech.2016.10.004 | Alpha-galactosidase A | 18 |
| 27744182 | 10.1016/j.ejmech.2016.10.004 | Unchecked | 4 |
| 27744182 | 10.1016/j.ejmech.2016.10.004 | Alpha-mannosidase | 1 |
| 27744182 | 10.1016/j.ejmech.2016.10.004 | Alpha-galactosidase | 1 |
| 27744182 | 10.1016/j.ejmech.2016.10.004 | Beta-galactosidase | 1 |
| 27744182 | 10.1016/j.ejmech.2016.10.004 | Lymphocyte | 1 |
Data from ChEMBL 36 via Core Engine