Compound Detail
CHEMBL55418
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Basic Information
| ChEMBL ID | CHEMBL55418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXYMHGABHZSFOI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.7
MW (Da)
3.82
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 6.07 | 6.07 | 851.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 851.14 | nM | 6.07 | Binding affinity towards benzodiazepine site in GABAA receptor | 11384234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384234 | 10.1021/jm000557p | GABA-A receptor; anion channel | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine