Compound Detail
CHEMBL332629
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O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL332629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTYNBBFOPMKRDO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.4
MW (Da)
5.05
ALogP
6
HBA
3
HBD
156.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 1800.0 | nM | 5.75 | 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