Compound Detail
CHEMBL3763876
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OC[C@H]1O[C@@]2(CC(c3ccc4cc(O)ccc4c3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3763876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIISQLDYQPIYIM-UYTYNIKBSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
-0.16
ALogP
8
HBA
5
HBD
132.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 4.86 | 4.755 | 13780.0 | 2 |
| Glycogen phosphorylase, liver form CHEMBL3239 | IC50 | 4.52 | 4.52 | 30070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of rabbit muscle glycogen phosphorylase b | 26708111 |
| Glycogen phosphorylase, liver form | IC50 | = | 13780.0 | nM | 4.86 | Inhibition of glycogen phosphorylase in human hepatocytes assessed as glucagon s... | 26708111 |
| Glycogen phosphorylase, liver form | IC50 | = | 22160.0 | nM | 4.65 | Inhibition of glycogen phosphorylase in human hepatocytes assessed as decrease i... | 26708111 |
| Glycogen phosphorylase, liver form | IC50 | = | 30070.0 | nM | 4.52 | 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 |
| 26708111 | 10.1016/j.ejmech.2015.12.004 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine