Compound Detail
CHEMBL4090219
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O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](CO)[C@H]2O)cc1F
Basic Information
| ChEMBL ID | CHEMBL4090219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRDZBOUBXUSVDU-FUSRNSPPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
-3.10
ALogP
8
HBA
5
HBD
145.0
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 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 4.57 | 4.57 | 27100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | Ki | = | 27100.0 | nM | 4.57 | Competitive inhibition of rabbit muscle glycogen phosphorylase b using glucose-1... | 28925695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28925695 | 10.1021/acs.jmedchem.7b01056 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine