Compound Detail
CHEMBL394757
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Basic Information
| ChEMBL ID | CHEMBL394757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEHSDBPFYMTOPL-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.42
ALogP
6
HBA
2
HBD
96.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-4 CHEMBL3820 | EC50 | 5.6 | 5.6 | 2530.0 | 1 |
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 5.01 | 5.01 | 9870.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.01 | 5.01 | 9870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-4 | EC50 | = | 2530.0 | nM | 5.6 | Activation of human glucokinase expressed in Escherichia coli BL21(DE3) by G6PDH... | 19758809 |
| Unchecked | IC50 | = | 9870.0 | nM | 5.01 | Inhibition of rabbit muscle GPa | 17719791 |
| Glycogen phosphorylase, muscle form | IC50 | = | 9870.0 | nM | 5.01 | Inhibition of rabbit muscle glycogen phosphorylase a assessed as glucose-1-phosp... | 19758809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19758809 | 10.1016/j.bmc.2009.08.045 | Hexokinase-4 | 2 |
| 17719791 | 10.1016/j.bmc.2007.08.003 | Unchecked | 1 |
| 19758809 | 10.1016/j.bmc.2009.08.045 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine