Compound Detail
CHEMBL6861
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Basic Information
| ChEMBL ID | CHEMBL6861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEEODWYIEWWPHZ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
2.68
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 8.06 | 8.02 | 8.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 8.8 | nM | 8.06 | Binding affinity for Diazepam-Insensitive fraction of GABA-A benzodiazepine rece... | 8386769 |
| GABA-A receptor; anion channel | Ki | = | 8.8 | nM | 8.06 | Binding affinity for Diazepam insensitive (DI) isoform of the benzodiazepine (Bz... | 8390574 |
| GABA-A receptor; anion channel | Ki | = | 10.5 | nM | 7.98 | Binding affinity for Diazepam-Sensitive fraction of GABA-A benzodiazepine recept... | 8386769 |
| GABA-A receptor; anion channel | Ki | = | 10.5 | nM | 7.98 | Binding affinity for Diazepam sensitive (DS) isoform of the benzodiazepine (Bz) ... | 8390574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8386769 | 10.1021/jm00060a007 | GABA-A receptor; anion channel | 4 |
| 8390574 | 10.1021/jm00065a004 | GABA-A receptor; anion channel | 3 |
Data from ChEMBL 36 via Core Engine