Compound Detail
CHEMBL3237971
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O=[N+]([O-])c1ccc(-c2n[nH]c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL3237971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGGZQIXTNFFJRV-RMPHRYRLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
-1.11
ALogP
9
HBA
5
HBD
174.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 4.47 | 4.47 | 33500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | Ki | = | 33500.0 | nM | 4.47 | Inhibition of rabbit muscle glycogen phosphorylase b | 24608000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24608000 | 10.1016/j.ejmech.2014.02.041 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine