Compound Detail
CHEMBL2181577
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Basic Information
| ChEMBL ID | CHEMBL2181577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEOPHACTIUMBPZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
234.7
MW (Da)
1.48
ALogP
4
HBA
0
HBD
57.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.5 | 6.45 | 315.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 315.0 | nM | 6.5 | Displacement of [3H]Ro15-1788 from GABA-A receptor benzodiazepine binding site i... | 23490154 |
| Unchecked | Ki | = | 400.0 | nM | 6.4 | Displacement of [3H]Ro151788 from GABA(A)/BzR in bovine cerebral cortex membrane | 22094278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22094278 | 10.1016/j.bmc.2011.10.047 | Unchecked | 2 |
| 23490154 | 10.1016/j.bmc.2013.02.027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine