Compound Detail
CHEMBL17424
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Basic Information
| ChEMBL ID | CHEMBL17424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYVAVBFBOCMUHW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.6
MW (Da)
5.55
ALogP
7
HBA
1
HBD
58.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 7.32 | 7.32 | 48.0 | 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 | = | 1.4 | nM | 8.85 | Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-5-beta... | 11881985 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 4.3 | nM | 8.37 | Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-1-beta... | 11881985 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-2-beta... | 11881985 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 48.0 | nM | 7.32 | Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-3-beta... | 11881985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881985 | 10.1021/jm010471b | GABA-A receptor; alpha-5/beta-3/gamma-2 | 2 |
| 11881985 | 10.1021/jm010471b | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 11881985 | 10.1021/jm010471b | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 11881985 | 10.1021/jm010471b | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| 11881985 | 10.1021/jm010471b | Gamma-aminobutyric acid receptor subunit alpha-5 | 1 |
Data from ChEMBL 36 via Core Engine