Compound Detail
CHEMBL229535
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Basic Information
| ChEMBL ID | CHEMBL229535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIYPVGAAAPRMOJ-WJDWOHSUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.3
MW (Da)
4.45
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095167 | IC50 | 7.52 | 7.52 | 30.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Displacement of [35S]TBPS from GABAA receptor in Sprague-Dawley rat cortex membr... | 17571865 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | IC50 | = | 30.2 | nM | 7.52 | Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptor | 20684859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17571865 | 10.1021/jm070083v | Unchecked | 2 |
| 17571865 | 10.1021/jm070083v | Mus musculus | 2 |
| 20684859 | 10.1016/j.ejmech.2010.05.004 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine