Compound Detail
CHEMBL115341
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(CN2C(C)=C(C(=O)OC(C)C)C(c3ccccc3Cl)C(C(=O)O)=C2C(=O)O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL115341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQAWZPKKNZUGCQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.0
MW (Da)
4.61
ALogP
7
HBA
2
HBD
122.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
EC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Glycogen phosphorylase, muscle form CHEMBL3526 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 4.0 | nM | 8.4 | In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa... | 14505637 |
| Glycogen phosphorylase, muscle form | IC50 | = | 11.0 | nM | 7.96 | In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGP... | 14505637 |
| Rattus norvegicus | EC50 | = | 270.0 | nM | 6.57 | 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