Compound Detail
CHEMBL4757992
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Basic Information
| ChEMBL ID | CHEMBL4757992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWFQBZBSCRPXLA-ROUUACIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.3
MW (Da)
3.12
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; GABA-A site (alpha1/beta2 interface) CHEMBL1907597 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; GABA-A site (alpha1/beta2 interface) | EC50 | = | 9000.0 | nM | 5.05 | Positive allosteric modulator activity at human alpha1beta2S GABA-A receptor exp... | 33214830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214830 | 10.1021/acsmedchemlett.0c00340 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 33214830 | 10.1021/acsmedchemlett.0c00340 | GABA-A receptor; GABA-A site (alpha1/beta2 interface) | 1 |
Data from ChEMBL 36 via Core Engine