Compound Detail
CHEMBL390587
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1c(O[C@H]2O[C@@H](CCSSC[C@H]3O[C@@H](Oc4cc5c(c(OC)c4OC)-c4ccc(SC)c(=O)cc4[C@@H](CNC(C)=O)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CNC(C)=O)CC2
Basic Information
| ChEMBL ID | CHEMBL390587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVNNZGOGWRESMK-BIFMXFKRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1199.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.22 | 4700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Displacement of [3H]strychnine from glycine receptor in rat spinal cord synaptos... | 17411024 |
| Unchecked | IC50 | = | 7800.0 | nM | 5.11 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat spinal co... | 17411024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17411024 | 10.1021/jm061056s | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine