Compound Detail
CHEMBL238185
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CCCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL238185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKWCYQYJRALNAD-IHYXPCQHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.8
MW (Da)
6.93
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 4.08 | 4.08 | 82500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.08 | 4.08 | 82500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 82500.0 | nM | 4.08 | Inhibition of rabbit muscle glycogen phosphorylase a | 17869102 |
| Glycogen phosphorylase, muscle form | IC50 | = | 82500.0 | nM | 4.08 | Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phos... | 21439694 |
| Glycogen phosphorylase, muscle form | IC50 | = | 83176.38 | nM | 4.08 | 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 |
| 17869102 | 10.1016/j.bmcl.2007.08.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine