Compound Detail
CHEMBL75941
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C[C@@H](NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc([N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL75941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFYBGBTVDPQNCC-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.3
MW (Da)
3.04
ALogP
6
HBA
2
HBD
148.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 78.0 | nM | 7.11 | Inhibition of [3H]- flumazenil binding to benzodiazepine receptor in bovine brai... | 11428922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11428922 | 10.1021/jm010827j | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine