Compound Detail
CHEMBL436626
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C[C@H]1[C@H](C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OS(C)(=O)=O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL436626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEHKIDMDJKSTCI-BIURPMPOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
640.9
MW (Da)
7.70
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.36 | 4.36 | 43400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 43400.0 | nM | 4.36 | Inhibition of rabbit muscle glycogen phosphorylase a | 17869102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17869102 | 10.1016/j.bmcl.2007.08.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine