Compound Detail
CHEMBL48418
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Basic Information
| ChEMBL ID | CHEMBL48418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNMWFESCWXOKNN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.62
ALogP
7
HBA
0
HBD
86.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 9.15 | 8.4967 | 0.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 0.71 | nM | 9.15 | Displacement of [3H]- flunitrazepam from rat GABA-A benzodiazepine receptor | 8145225 |
| GABA-A receptor; anion channel | Ki | = | 6.8 | nM | 8.17 | Inhibition of [3H]flunitrazepam binding to GABA-A receptor of rat cortical membr... | 8568803 |
| GABA-A receptor; anion channel | Ki | = | 6.8 | nM | 8.17 | Displacement of [3H]- flunitrazepam from rat GABA-A benzodiazepine receptor | 8145225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8145225 | 10.1021/jm00032a008 | GABA-A receptor; anion channel | 4 |
| 8145225 | 10.1021/jm00032a008 | Rattus norvegicus | 3 |
| 8568803 | 10.1021/jm940765f | GABA-A receptor; anion channel | 2 |
| 8568803 | 10.1021/jm940765f | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine