Compound Detail
CHEMBL139461
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 | CHEMBL139461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULRSAQLSHVWRKZ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
339.8
MW (Da)
3.11
ALogP
2
HBA
3
HBD
74.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL3526 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 7.36 | 7.2633 | 44.0 | 3 |
| Hepatocyte CHEMBL613362 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 38.0 | nM | 7.42 | Inhibitory concentration against recombinant human muscle glycogen phosphorylase... | 14643331 |
| Glycogen phosphorylase, liver form | IC50 | = | 44.0 | nM | 7.36 | Inhibitory concentration against recombinant human liver glycogen phosphorylase ... | 14643331 |
| Glycogen phosphorylase, liver form | IC50 | = | 44.0 | nM | 7.36 | Inhibition of human liver glycogen phosphorylase 1a assessed as release of phosp... | 21788139 |
| Glycogen phosphorylase, liver form | IC50 | = | 86.0 | nM | 7.07 | Inhibition of recombinant human liver GPa by multienzyme coupled assay | 16945526 |
| Hepatocyte | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of glucose output in glucagon challenged rat hepatocytes | 16945526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643331 | 10.1016/j.bmcl.2003.09.022 | Glycogen phosphorylase, liver form | 1 |
| 14643331 | 10.1016/j.bmcl.2003.09.022 | Glycogen phosphorylase, muscle form | 1 |
| 16945526 | 10.1016/j.bmcl.2006.08.047 | Glycogen phosphorylase, liver form | 1 |
| 16945526 | 10.1016/j.bmcl.2006.08.047 | Hepatocyte | 1 |
| 21788139 | 10.1016/j.bmc.2011.06.086 | Glycogen phosphorylase, liver form | 1 |
Data from ChEMBL 36 via Core Engine