Compound Detail
CHEMBL379817
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CCOC(=O)CCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL379817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYNOAJJBNQHQJN-LAHIMTOPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
570.9
MW (Da)
8.04
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 4.12 | 4.12 | 76700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 76700.0 | nM | 4.12 | Inhibition of rabbit muscle GPa | 16546381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16546381 | 10.1016/j.bmcl.2006.03.009 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine