Compound Detail
CHEMBL423509
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CC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)C(C(=O)O)=C(C(=O)O)N1Cc1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL423509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJFRTXMMZKGJKN-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
514.9
MW (Da)
4.50
ALogP
7
HBA
2
HBD
147.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
EC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Glycogen phosphorylase, muscle form CHEMBL3526 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa... | 14505637 |
| Glycogen phosphorylase, muscle form | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGP... | 14505637 |
| Rattus norvegicus | EC50 | = | 440.0 | nM | 6.36 | In vitro inhibition of glucagon-stimulated glycogenolysis in primary rat hepatoc... | 14505637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505637 | 10.1016/s0960-894x(03)00798-4 | Glycogen phosphorylase, liver form | 1 |
| 14505637 | 10.1016/s0960-894x(03)00798-4 | Glycogen phosphorylase, muscle form | 1 |
| 14505637 | 10.1016/s0960-894x(03)00798-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine