Compound Detail
CHEMBL113736
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Basic Information
| ChEMBL ID | CHEMBL113736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQMMQAASZINFJQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.9
MW (Da)
3.23
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Glycogen phosphorylase, muscle form CHEMBL3526 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 7.88 | nM | 8.1 | In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa... | 14505637 |
| Glycogen phosphorylase, muscle form | IC50 | = | 8.28 | nM | 8.08 | In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGP... | 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 |
Data from ChEMBL 36 via Core Engine