Compound Detail
CHEMBL119367
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N#Cc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1
Basic Information
| ChEMBL ID | CHEMBL119367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNEHUYVPZOKWNK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.4
MW (Da)
3.91
ALogP
7
HBA
3
HBD
179.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 2200.0 | nM | 5.66 | In vitro inhibition of pig liver Glycogen phosphorylase A. | 15214781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214781 | 10.1021/jm031121n | Glycogen phosphorylase, liver form | 1 |
Data from ChEMBL 36 via Core Engine