Compound Detail
CHEMBL3770455
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OC[C@H]1O[C@@H](c2nc(-c3ccc4ccccc4c3)c[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3770455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXGMUNPLTDCCLX-UYTYNIKBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
0.74
ALogP
6
HBA
5
HBD
118.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 7.51 | 7.35 | 31.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | Ki | = | 26.0 | nM | 7.58 | Competitive inhibition of His6-tagged human liver glycogen phosphorylase-a expre... | 27522507 |
| Glycogen phosphorylase, muscle form | Ki | = | 31.0 | nM | 7.51 | Competitive inhibition of rabbit muscle glycogen phosphorylase-b using alpha-D-g... | 26713107 |
| Glycogen phosphorylase, muscle form | Ki | = | 65.0 | nM | 7.19 | Competitive inhibition of rabbit muscle glycogen phosphorylase-a assessed as rel... | 27522507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27522507 | 10.1016/j.ejmech.2016.06.049 | Glycogen phosphorylase, liver form | 3 |
| 27522507 | 10.1016/j.ejmech.2016.06.049 | Glycogen phosphorylase, muscle form | 2 |
| 26713107 | 10.1021/acsmedchemlett.5b00361 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine