Compound Detail
CHEMBL78400
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Basic Information
| ChEMBL ID | CHEMBL78400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQYOQCNMVHHMSG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
4.01
ALogP
2
HBA
3
HBD
64.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 6.0 | nM | 8.22 | In vitro potency measured against [3H]diazepam at the benzodiazepine receptor in... | 2167978 |
| Unchecked | IC50 | = | 6.026 | nM | 8.22 | Displacement of [3H]diazepam from GABAA/BzR in rat brain membrane | 17964693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2167978 | 10.1021/jm00171a015 | Mus musculus | 2 |
| 2167978 | 10.1021/jm00171a015 | GABA-A receptor; anion channel | 1 |
| 2167978 | 10.1021/jm00171a015 | No relevant target | 1 |
| 17964693 | 10.1016/j.ejmech.2007.09.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine