Compound Detail
CHEMBL150213
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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(Cl)cc6)C(C)(C)C5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL150213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVRRKSVMSIMNKI-HANWJDCOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.3
MW (Da)
10.15
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 3300.0 | nM | 5.48 | 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