Compound Detail
CHEMBL549436
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OC[C@H]1O[C@@H](c2nc(-c3ccc(O)cc3)no2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL549436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCXPCHPLVYGQJZ-RMPHRYRLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
-1.04
ALogP
9
HBA
5
HBD
149.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | Ki | = | 19400.0 | nM | 4.71 | Inhibition of rabbit muscle glycogen phosphorylase b | 19450985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19450985 | 10.1016/j.bmc.2009.04.036 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine