Compound Detail
CHEMBL114731
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CC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)C(C(=O)O)=C(C(=O)O)N1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL114731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTZRBAHJKMPGBS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.9
MW (Da)
4.59
ALogP
5
HBA
2
HBD
104.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
EC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Glycogen phosphorylase, muscle form CHEMBL3526 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.95 | 5.95 | 1130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 11.0 | nM | 7.96 | In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa... | 14505637 |
| Glycogen phosphorylase, muscle form | IC50 | = | 26.0 | nM | 7.58 | In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGP... | 14505637 |
| Rattus norvegicus | EC50 | = | 1130.0 | nM | 5.95 | 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