Compound Detail
CHEMBL49388
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Basic Information
| ChEMBL ID | CHEMBL49388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPLHNABOBXLAJU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.85
ALogP
6
HBA
1
HBD
89.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111339 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 3.5 | nM | 8.46 | Inhibition of [3H]flunitrazepam binding to GABA-A receptor of rat cortical membr... | 8568803 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | Ki | = | 4.5 | nM | 8.35 | Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 su... | 8568803 |
| GABA A receptor alpha-3/beta-2/gamma-2 | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 su... | 8568803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568803 | 10.1021/jm940765f | Mus musculus | 4 |
| 8568803 | 10.1021/jm940765f | GABA-A receptor; anion channel | 2 |
| 8568803 | 10.1021/jm940765f | Rattus norvegicus | 2 |
| 8568803 | 10.1021/jm940765f | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 8568803 | 10.1021/jm940765f | GABA A receptor alpha-3/beta-2/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine