Compound Detail
CHEMBL3138284
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
CCOC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL3138284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSPGWDVCKYLRKD-WYGYKLAHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.6
MW (Da)
5.00
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.75
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 230.0 | nM | 6.64 | Ability to allosterically modulate the binding of [35S]TBPS to gamma-aminobutyri... | 9016329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9016329 | 10.1021/jm960021x | GABA-A receptor; anion channel | 1 |
| 9016329 | 10.1021/jm960021x | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine