Compound Detail
CHEMBL97569
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Basic Information
| ChEMBL ID | CHEMBL97569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFAOPVVDIAJYCL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.7
MW (Da)
3.44
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.54
Kd 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | Kd | 8.74 | 8.74 | 1.8 | 1 |
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Kd | = | 1.8 | nM | 8.74 | Displacement of [3H]flunitrazepam from bovine brain membranes at 0.2 nM. | 8071933 |
| GABA-A receptor; anion channel | Ki | = | 2.9 | nM | 8.54 | Binding affinity to BZR receptor on bovine cerebral cortex by [3H]flunitrazepam ... | 8071933 |
| Unchecked | Ki | = | 2.9 | nM | 8.54 | Binding affinity to benzodiazepine receptor (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8071933 | 10.1021/jm00044a004 | GABA-A receptor; anion channel | 3 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine