Compound Detail
CHEMBL1796874
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CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[n+]6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL1796874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKBOAGQWCDEGPV-QFAHTBGKSA-M |
| Parent Compound | CHEMBL1852851 |
| Active Moiety | CHEMBL1852851 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
652.9
MW (Da)
9.87
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 5.27 | 5.27 | 5370.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 5370.32 | nM | 5.27 | Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phos... | 21439694 |
| Glycogen phosphorylase, muscle form | IC50 | = | 5390.0 | nM | 5.27 | Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phos... | 21439694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21439694 | 10.1016/j.ejmech.2011.02.053 | Glycogen phosphorylase, muscle form | 2 |
Data from ChEMBL 36 via Core Engine