Compound Detail
CHEMBL3765349
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CC(=O)OC[C@H]1O[C@@]2(CC(c3ccc4ccccc4c3)=NO2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL3765349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HATURVJNRRIAJG-WSGIOKLISA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
2.42
ALogP
11
HBA
0
HBD
136.0
PSA (Ų)
0.42
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 5.62 | 5.61 | 2380.0 | 2 |
| Glycogen phosphorylase, liver form CHEMBL3239 | IC50 | 4.87 | 4.87 | 13580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 2380.0 | nM | 5.62 | Inhibition of glycogen phosphorylase in human hepatocytes assessed as glucagon s... | 26708111 |
| Glycogen phosphorylase, liver form | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of glycogen phosphorylase in human hepatocytes assessed as decrease i... | 26708111 |
| Glycogen phosphorylase, liver form | IC50 | = | 13580.0 | nM | 4.87 | Inhibition of glycogen phosphorylase in Wistar rat hepatocytes assessed as decre... | 26708111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26708111 | 10.1016/j.ejmech.2015.12.004 | Glycogen phosphorylase, liver form | 3 |
Data from ChEMBL 36 via Core Engine