Compound Detail
CHEMBL3218478
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Basic Information
| ChEMBL ID | CHEMBL3218478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNZIMOVBOPUPJI-HSZRJFAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
4.64
ALogP
6
HBA
1
HBD
93.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 7.06 | 7.06 | 88.0 | 1 |
| Hexokinase-4 CHEMBL3882 | EC50 | 6.73 | 6.73 | 187.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 88.0 | nM | 7.06 | Activation of recombinant human glucokinase assessed as formation of glucose-6-p... | - |
| Hexokinase-4 | EC50 | = | 187.0 | nM | 6.73 | Activation of rat glucokinase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00116G | Hexokinase-4 | 2 |
| - | 10.1039/C1MD00116G | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine