Compound Detail
CHEMBL3764930
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Basic Information
| ChEMBL ID | CHEMBL3764930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTCKQHHNBFDKIY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.9
MW (Da)
5.94
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 6.47 | 6.47 | 342.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 342.0 | nM | 6.47 | Activation of recombinant human glucokinase assessed as NADPH formation using gl... | 26685731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26685731 | 10.1021/acs.jmedchem.5b01594 | Hexokinase-4 | 3 |
| 26685731 | 10.1021/acs.jmedchem.5b01594 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine