Compound Detail
CHEMBL319567
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Basic Information
| ChEMBL ID | CHEMBL319567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNMHBAFBGGDQEK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.9
MW (Da)
4.40
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.42 | 6.42 | 380.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 380.0 | nM | 6.42 | Displacement of [3H]flunitrazepam from GABA-A benzodiazepine receptor of rat cer... | 1681105 |
| GABA-A receptor; anion channel | IC50 | = | 380.0 | nM | 6.42 | Binding affinity against central benzodiazepine receptor(CBR). | 8863805 |
| Unchecked | IC50 | = | 380.0 | nM | 6.42 | Inhibition of CBR (unknown origin) | 31404862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1681105 | 10.1021/jm00114a007 | GABA-A receptor; anion channel | 1 |
| 1681105 | 10.1021/jm00114a007 | Mus musculus | 1 |
| 8863805 | 10.1021/jm960325j | GABA-A receptor; anion channel | 1 |
| 31404862 | 10.1016/j.ejmech.2019.111569 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine