Compound Detail
CHEMBL344344
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Basic Information
| ChEMBL ID | CHEMBL344344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIOHXNRYFRSQCK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
3.32
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 5.59 | 5.59 | 2570.4 | 1 |
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 2570.4 | nM | 5.59 | The compound was tested for benzodiazepine receptor inverse agonist activity | 10602702 |
| GABA-A receptor; anion channel | Ki | = | 2600.0 | nM | 5.58 | In vitro inhibition of [3H]- flunitrazepam binding to GABA-A benzodiazepine rece... | 8978839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978839 | 10.1021/jm960240i | GABA-A receptor; anion channel | 3 |
| 10602702 | 10.1021/jm9910728 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine