Compound Detail
CHEMBL336568
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Basic Information
| ChEMBL ID | CHEMBL336568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCBYZKFGSIKCEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.53
ALogP
5
HBA
1
HBD
82.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 3600.0 | nM | 5.44 | Ability to inhibit [3H]-Ro- 15-1788 binding to Gamma-aminobutyric acid A recepto... | 12213060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213060 | 10.1021/jm020839k | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine