Compound Detail
CHEMBL608390
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O=[N+]([O-])c1ccc(C2=NO[C@@]3(C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1
Basic Information
| ChEMBL ID | CHEMBL608390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNHDATKECHOISP-RKQHYHRCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
-1.11
ALogP
9
HBA
4
HBD
154.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 4.03 | 4.03 | 92500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | Ki | = | 92500.0 | nM | 4.03 | Inhibition of rabbit muscle glycogen phosphorylase b | 19781947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19781947 | 10.1016/j.bmc.2009.08.060 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine