Compound Detail
CHEMBL53119
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Basic Information
| ChEMBL ID | CHEMBL53119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNQUBQPENBHTCP-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
3.39
ALogP
6
HBA
0
HBD
77.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.04
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.46 | 7.46 | 34.3 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.04 | 6.04 | 907.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 34.3 | nM | 7.46 | Displacement of [3H]flunitrazepam from diazepam-sensitive GABA-A benzodiazepine ... | 8386247 |
| GABA-A receptor; anion channel | Ki | = | 907.0 | nM | 6.04 | Displacement of [3H]flunitrazepam from diazepam-sensitive GABA-A benzodiazepine ... | 8386247 |
| GABA-A receptor; anion channel | Ki | = | 907.1 | nM | 6.04 | Binding affinity for Diazepam sensitive (DS) isoform of the benzodiazepine (Bz) ... | 8390574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8386247 | 10.1021/jm00056a008 | GABA-A receptor; anion channel | 3 |
| 8390574 | 10.1021/jm00065a004 | GABA-A receptor; anion channel | 2 |
| 8386247 | 10.1021/jm00056a008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine