Compound Detail
CHEMBL54338
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Basic Information
| ChEMBL ID | CHEMBL54338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFTSPQUXYIMHAN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
1
Known Names
Molecular Properties
357.8
MW (Da)
2.99
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.0
IC50 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 10.0 | 8.63 | 0.1 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 0.1 | nM | 10.0 | Binding affinity for Diazepam sensitive (DS) isoform of the benzodiazepine (Bz) ... | 8390574 |
| GABA-A receptor; anion channel | IC50 | = | 4.2 | nM | 8.38 | Inhibition of radiolabeled antagonist [3H]-Ro- 15-1788 binding to benzodiazepine... | 2552115 |
| GABA-A receptor; anion channel | Ki | = | 55.0 | nM | 7.26 | Binding affinity for Diazepam insensitive (DI) isoform of the benzodiazepine (Bz... | 8390574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8390574 | 10.1021/jm00065a004 | GABA-A receptor; anion channel | 3 |
| 2552115 | 10.1021/jm00130a010 | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine