Compound Detail
CHEMBL218287
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Basic Information
| ChEMBL ID | CHEMBL218287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJAHIGGEXIWVJG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
3.18
ALogP
3
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 4 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 7.39 | 7.39 | 41.0 | 2 |
| Hepatocyte CHEMBL613362 | IC50 | 6.16 | 6.16 | 690.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 41.0 | nM | 7.39 | Inhibition of recombinant human liver GPa by multienzyme coupled assay | 16945526 |
| Glycogen phosphorylase, liver form | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human hepatic recombinant glycogen phosphorylase by multienzyme co... | 17095214 |
| Hepatocyte | IC50 | = | 690.0 | nM | 6.16 | Inhibition of glucose output in glucagon challenged rat hepatocytes | 16945526 |
| Hepatocyte | IC50 | = | 690.0 | nM | 6.16 | Inhibition of glucose output in glucagon challenged primary rat hepatocytes | 17095214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16945526 | 10.1016/j.bmcl.2006.08.047 | Glycogen phosphorylase, liver form | 1 |
| 16945526 | 10.1016/j.bmcl.2006.08.047 | Hepatocyte | 1 |
| 17095214 | 10.1016/j.bmcl.2006.10.037 | Glycogen phosphorylase, liver form | 1 |
| 17095214 | 10.1016/j.bmcl.2006.10.037 | Hepatocyte | 1 |
| 17095214 | 10.1016/j.bmcl.2006.10.037 | Plasma | 1 |
| 17095214 | 10.1016/j.bmcl.2006.10.037 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine