Compound Detail
CHEMBL2051966
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Basic Information
| ChEMBL ID | CHEMBL2051966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWTPDNZHVXAYRX-FIBGUPNXSA-N |
| Parent Compound | CHEMBL268191 |
| Active Moiety | CHEMBL268191 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
2.45
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 5.3 | nM | 8.28 | Concentration that inhibits specific [3H]flunitrazepam binding to benzodiazepine... | 6300400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6300400 | 10.1021/jm00358a008 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine