Compound Detail
CHEMBL1558692
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Basic Information
| ChEMBL ID | CHEMBL1558692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFHHBGRWPZJXGB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
2.82
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | EC50 | 5.78 | 5.78 | 1665.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.93 | 4.93 | 11700.0 | 1 |
| Hexokinase-1 CHEMBL2688 | EC50 | 4.87 | 4.87 | 13600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | EC50 | = | 1665.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Dose response cell-based high throughput screening assay to id... | - |
| Hexokinase HKDC1 | EC50 | = | 11700.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase-1 | EC50 | = | 13600.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine