Compound Detail
CHEMBL175475
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Basic Information
| ChEMBL ID | CHEMBL175475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGOAGGOYLMIFPI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.55
ALogP
8
HBA
0
HBD
83.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 8.01 | 8.01 | 9.8 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743180 | 10.1021/jm040883v | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 15743180 | 10.1021/jm040883v | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
| 15743180 | 10.1021/jm040883v | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 15743180 | 10.1021/jm040883v | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine