Compound Detail
CHEMBL52097
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Basic Information
| ChEMBL ID | CHEMBL52097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQLCOIMRBVMJIE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.19
ALogP
6
HBA
1
HBD
89.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 21.0 | nM | 7.68 | Inhibition of [3H]flunitrazepam binding to GABA-A receptor of rat cortical membr... | 8568803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568803 | 10.1021/jm940765f | GABA-A receptor; anion channel | 2 |
| 8568803 | 10.1021/jm940765f | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine