Compound Detail
CHEMBL519934
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Basic Information
| ChEMBL ID | CHEMBL519934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMJAUNHXYJKDGD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.09
ALogP
6
HBA
1
HBD
85.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 5.77 | 5.41 | 1690.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 1690.0 | nM | 5.77 | Activation of human glucokinase expressed in Escherichia coli BL21(DE3) coexpres... | 20472448 |
| Hexokinase-4 | EC50 | = | 8930.0 | nM | 5.05 | Activation of GST fused human liver glucokinase assessed as generation of NADPH ... | 18588279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18588279 | 10.1021/jm8003202 | Hexokinase-4 | 3 |
| 20472448 | 10.1016/j.bmc.2010.04.038 | Hexokinase-4 | 2 |
| 18588279 | 10.1021/jm8003202 | ADMET | 1 |
| 18588279 | 10.1021/jm8003202 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine