Compound Detail
CHEMBL306719
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Basic Information
| ChEMBL ID | CHEMBL306719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSNBVFOEXXZXLU-MRVPVSSYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
1.33
ALogP
6
HBA
2
HBD
131.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Ki 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2094107 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 45.0 | nM | 7.35 | Inhibition of [3H]- flumazenil binding to benzodiazepine receptor in bovine brai... | 11428922 |
| GABA-A receptor; anion channel | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory concentration against [3H]flunitrazepam binding to benzodiazepine rec... | 2555510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2555510 | 10.1021/jm00132a004 | GABA-A receptor; anion channel | 2 |
| 11428922 | 10.1021/jm010827j | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine