Compound Detail
CHEMBL3219118
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Basic Information
| ChEMBL ID | CHEMBL3219118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIMBWAZUNKXRKB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
3.87
ALogP
7
HBA
1
HBD
94.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 170.0 | nM | 6.77 | Inhibition of recombinant human pancreatic glucokinase by G-6-P dehydrogenase as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20077E | Hexokinase-4 | 1 |
| - | 10.1039/C2MD20077E | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine