Compound Detail
CHEMBL205257
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Basic Information
| ChEMBL ID | CHEMBL205257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVZIOBTVAJBBAS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
296.1
MW (Da)
2.88
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA A receptor alpha-1/beta-1/gamma-2 CHEMBL2111392 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111339 | Ki | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA A receptor alpha-1/beta-1/gamma-2 | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamm... | 16610795 |
| GABA-A receptor; anion channel | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]flumazenil from GABA-A receptor in rat cortical membranes | 16610795 |
| GABA A receptor alpha-3/beta-2/gamma-2 | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]Flumazenil from human GABA-Aalpha3 receptor plus beta-2-gamm... | 16610795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610795 | 10.1021/jm058057p | GABA-A receptor; anion channel | 1 |
| 16610795 | 10.1021/jm058057p | GABA A receptor alpha-1/beta-1/gamma-2 | 1 |
| 16610795 | 10.1021/jm058057p | GABA A receptor alpha-3/beta-2/gamma-2 | 1 |
| 16610795 | 10.1021/jm058057p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine