Compound Detail
CHEMBL133745
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O=C(Nc1c(F)cccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL133745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKPFJBJRMRYLPA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.3
MW (Da)
4.17
ALogP
6
HBA
3
HBD
156.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL3008 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Glycogen phosphorylase, liver form CHEMBL3239 | IC50 | 6.52 | 6.52 | 302.0 | 1 |
| Glycogen phosphorylase, muscle form CHEMBL3526 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 207.0 | nM | 6.68 | Inhibitory activity against mouse liver glycogen phosphorylase | 14592521 |
| Glycogen phosphorylase, liver form | IC50 | = | 250.0 | nM | 6.6 | Inhibitory activity against HLGP(human liver glycogen phosphorylase) | 14592521 |
| Glycogen phosphorylase, liver form | IC50 | = | 302.0 | nM | 6.52 | Inhibitory activity against rat liver glycogen phosphorylase | 14592521 |
| Glycogen phosphorylase, muscle form | IC50 | = | 1860.0 | nM | 5.73 | Inhibitory activity against HMGP(human muscle glycogen phosphorylase) | 14592521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14592521 | 10.1016/j.bmcl.2003.08.046 | Glycogen phosphorylase, liver form | 3 |
| 14592521 | 10.1016/j.bmcl.2003.08.046 | Glycogen phosphorylase, muscle form | 2 |
Data from ChEMBL 36 via Core Engine