Compound Detail
CHEMBL444050
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Basic Information
| ChEMBL ID | CHEMBL444050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVKYGVOAHGNAKZ-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
4.02
ALogP
4
HBA
1
HBD
60.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 1.8 | nM | 8.74 | Binding affinity to the benzodiazepine receptor assayed using 0.5 nM [3H]flunitr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00418-S | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine