Compound Detail
CHEMBL1165587
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Basic Information
| ChEMBL ID | CHEMBL1165587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQXBIOGCALFENS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
4.65
ALogP
6
HBA
1
HBD
85.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 158.0 | nM | 6.8 | Activation of human glucokinase expressed in Escherichia coli BL21(DE3) coexpres... | 20472448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20472448 | 10.1016/j.bmc.2010.04.038 | Hexokinase-4 | 2 |
Data from ChEMBL 36 via Core Engine