Compound Detail
CHEMBL2113232
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Basic Information
| ChEMBL ID | CHEMBL2113232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBFUJDBHOHXJQO-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.32
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 28.0 | nM | 7.55 | Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane | 16821797 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 28.0 | nM | 7.55 | Binding affinity to alpha7 nAChR | 21919481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821797 | 10.1021/jm060249c | Cytochrome P450 2D6 | 1 |
| 16821797 | 10.1021/jm060249c | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 21919481 | 10.1021/jm2007672 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 21919481 | 10.1021/jm2007672 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine