Compound Detail
CHEMBL4284436
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Basic Information
| ChEMBL ID | CHEMBL4284436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWCZFBYXOWRUMC-DGAVXFQQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
-0.08
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL2522 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Beta-glucosidase CHEMBL3761 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of beta-galactosidase derived from human peripheral blood mononuclear... | 30270003 |
| Beta-glucosidase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of beta-glucosidase derived from human peripheral blood mononuclear c... | 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