Compound Detail
CHEMBL204081
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Basic Information
| ChEMBL ID | CHEMBL204081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYXZFYIBJJAXSG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.8
MW (Da)
3.55
ALogP
2
HBA
0
HBD
35.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 11600.0 | nM | 4.94 | Binding affinity to Wistar rat benzodiazepine receptor | 16539371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539371 | 10.1021/jm0509400 | Mus musculus | 2 |
| 16539371 | 10.1021/jm0509400 | No relevant target | 1 |
| 16539371 | 10.1021/jm0509400 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine