Compound Detail
CHEMBL69945
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Basic Information
| ChEMBL ID | CHEMBL69945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADVBRTUBUIPIQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.30
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 67.0 | nM | 7.17 | Binding affinity to human GABA A alpha-5-beta-3-gamma-2 receptor, using a [3H]-R... | 12747794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747794 | 10.1021/jm020582q | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
| 12747794 | 10.1021/jm020582q | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 12747794 | 10.1021/jm020582q | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 12747794 | 10.1021/jm020582q | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| 12747794 | 10.1021/jm020582q | Gamma-aminobutyric acid receptor subunit alpha-5 | 1 |
Data from ChEMBL 36 via Core Engine