Compound Detail
CHEMBL608393
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Basic Information
| ChEMBL ID | CHEMBL608393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUCYMQBDBXVNCE-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.00
ALogP
7
HBA
2
HBD
85.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.17
Kd 2 meas. best 6.78
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 7.17 | 7.135 | 67.1 | 2 |
| Hexokinase-4 CHEMBL3820 | Kd | 6.78 | 6.61 | 164.9 | 2 |
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 4.36 | 4.36 | 43900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.002 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 67.11 | nM | 7.17 | Activation of human glucokinase expressed in Escherichia coli BL21(DE3) by G6PDH... | 19758809 |
| Hexokinase-4 | EC50 | = | 80.0 | nM | 7.1 | Activation of recombinant human glucokinase assessed as formation of glucose-6-p... | - |
| Hexokinase-4 | Kd | = | 164.9 | nM | 6.78 | Binding affinity to biotinylated human recombinant glucokinase expressed in Esch... | - |
| Hexokinase-4 | Kd | = | 360.0 | nM | 6.44 | Binding affinity to human pancreatic N-terminal His6-tagged glucokinase isoform ... | 27391254 |
| Glycogen phosphorylase, muscle form | IC50 | = | 43900.0 | nM | 4.36 | Inhibition of rabbit muscle glycogen phosphorylase a assessed as glucose-1-phosp... | 19758809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00027G | Hexokinase-4 | 5 |
| 27391254 | 10.1021/acs.jmedchem.6b00632 | Hexokinase-4 | 5 |
| 19758809 | 10.1016/j.bmc.2009.08.045 | Hexokinase-4 | 2 |
| - | 10.1039/C4MD00027G | Rattus norvegicus | 2 |
| 19758809 | 10.1016/j.bmc.2009.08.045 | Glycogen phosphorylase, muscle form | 1 |
| - | 10.1039/C4MD00027G | ADMET | 1 |
Data from ChEMBL 36 via Core Engine