Compound Detail
CHEMBL1164184
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1164184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBMFNEZMJWKKPU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
3.76
ALogP
6
HBA
1
HBD
85.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 7.05 | 7.05 | 89.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.5 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 33.11 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 89.0 | nM | 7.05 | Activation of human glucokinase expressed in Escherichia coli BL21(DE3) coexpres... | 20472448 |
| Hexokinase-4 | EC50 | = | 89.0 | nM | 7.05 | Activation of recombinant human His6-tagged glucokinase by G6PDH-coupled spectro... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20472448 | 10.1016/j.bmc.2010.04.038 | Hexokinase-4 | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| - | 10.1039/C1MD00002K | Hexokinase-4 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine