Compound Detail
CHEMBL4281031
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 | CHEMBL4281031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMGOEKPLSRLAAL-UCROKIRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
-1.69
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL2522 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of beta-galactosidase derived from human peripheral blood mononuclear... | 30270003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30270003 | 10.1016/j.bmc.2018.09.023 | Beta-galactosidase | 2 |
| 30270003 | 10.1016/j.bmc.2018.09.023 | Unchecked | 2 |
| 30270003 | 10.1016/j.bmc.2018.09.023 | Beta-glucosidase | 1 |
| 30270003 | 10.1016/j.bmc.2018.09.023 | Alpha glucosidase | 1 |
Data from ChEMBL 36 via Core Engine