Compound Detail
CHEMBL2408224
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OC[C@H]1O[C@@H](c2nc(-c3ccccc3)n[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2408224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTQQOMHOHKJYAX-RMPHRYRLSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
-1.01
ALogP
7
HBA
5
HBD
131.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | Ki | 5.87 | 5.87 | 1350.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.76 | 5.76 | 1740.0 | 1 |
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 5.16 | 5.16 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | Ki | = | 1350.0 | nM | 5.87 | Competitive inhibition of human liver glycogen phosphorylase-a assessed as relea... | 28925695 |
| Glycogen phosphorylase, liver form | Ki | = | 1350.0 | nM | 5.87 | Inhibition of human liver GPa using Glc-1-P as substrate incubated for 15 mins | 31767404 |
| Unchecked | Ki | = | 1740.0 | nM | 5.76 | Inhibition of rabbit muscle GPa using Glc-1-P as substrate incubated for 15 mins | 31767404 |
| Glycogen phosphorylase, muscle form | Ki | = | 7000.0 | nM | 5.16 | Competitive inhibition of rabbit muscle glycogen phosphorylase b | 24900719 |
| Glycogen phosphorylase, muscle form | Ki | = | 7000.0 | nM | 5.16 | Inhibition of rabbit muscle glycogen phosphorylase b | 24608000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900719 | 10.1021/ml4001529 | Glycogen phosphorylase, muscle form | 1 |
| 24608000 | 10.1016/j.ejmech.2014.02.041 | Glycogen phosphorylase, muscle form | 1 |
| 28925695 | 10.1021/acs.jmedchem.7b01056 | Glycogen phosphorylase, liver form | 1 |
| 31767404 | 10.1016/j.bmc.2019.115196 | Unchecked | 1 |
| 31767404 | 10.1016/j.bmc.2019.115196 | Glycogen phosphorylase, liver form | 1 |
Data from ChEMBL 36 via Core Engine