Compound Detail
CHEMBL3237976
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Nc1cc(N)cc(-c2n[nH]c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)c1
Basic Information
| ChEMBL ID | CHEMBL3237976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVANXYMYGQSXGE-RMPHRYRLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.3
MW (Da)
-1.85
ALogP
9
HBA
7
HBD
183.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | Ki | = | 14000.0 | nM | 4.85 | 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