Compound Detail
CHEMBL480180
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Basic Information
| ChEMBL ID | CHEMBL480180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQHRYNOCPAXJQV-RVDMUPIBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.72
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 4.58 | 4.58 | 26010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 26010.0 | nM | 4.58 | 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 |
Data from ChEMBL 36 via Core Engine