Compound Detail
CHEMBL2017794
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Basic Information
| ChEMBL ID | CHEMBL2017794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEPLKYSSEWRXGR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.92
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galactokinase CHEMBL1293257 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galactokinase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of human galactosidase after 30 mins by Kinase-GloTM assay | 22125663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22125663 | 10.1021/ml200131j | Galactokinase | 1 |
Data from ChEMBL 36 via Core Engine