Compound Detail
CHEMBL268846
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Basic Information
| ChEMBL ID | CHEMBL268846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHQLZYURMLGSMY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
2.59
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.89 | 4.89 | 12882.5 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 12882.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 13000.0 | nM | 4.89 | Concentration that inhibits binding of 1.5 nM [3H]diazepam to rat brain benzodia... | 2540330 |
| Unchecked | IC50 | = | 12882.5 | nM | 4.89 | Displacement of [3H]diazepam from benzodiazepine receptor in rat brain | 18346822 |
| GABA-A receptor; anion channel | IC50 | = | 12882.5 | nM | 4.89 | Binding affinity to Rattus norvegicus (rat) brain GABA-A receptor benzodiazepine... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379440 | 10.1021/jm960662s | Rattus norvegicus | 1 |
| 3346877 | 10.1021/jm00398a019 | Rattus norvegicus | 1 |
| 2540330 | 10.1021/jm00125a015 | GABA-A receptor; anion channel | 1 |
| 18346822 | 10.1016/j.ejmech.2008.01.030 | Unchecked | 1 |
| - | 10.1007/s00044-008-9111-6 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine