Compound Detail
CHEMBL125069
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Basic Information
| ChEMBL ID | CHEMBL125069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFYPTKLMKVKMDV-OAHLLOKOSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
3.51
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 13.0 | nM | 7.89 | Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine re... | 15801858 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 13.0 | nM | 7.89 | Binding affinity to alpha7 nAChR | 21919481 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 26.0 | nM | 7.58 | Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells | 15203161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15203161 | 10.1016/j.bmcl.2004.04.091 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 15801858 | 10.1021/jm049188d | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 21919481 | 10.1021/jm2007672 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine