Compound Detail
CHEMBL4539984
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Basic Information
| ChEMBL ID | CHEMBL4539984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYWFWMJGSJMRSP-OAQYLSRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
6.79
ALogP
2
HBA
1
HBD
32.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha glucosidase CHEMBL3833502 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha glucosidase | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of alpha-glucosidase (unknown origin) | 31112894 |
| Unchecked | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of alpha-glucosidase (unknown origin) | 32008883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Alpha glucosidase | 1 |
| 32008883 | 10.1016/j.bmc.2019.115263 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine