Compound Detail
CHEMBL1630290
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Basic Information
| ChEMBL ID | CHEMBL1630290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUAOTVHPQXTFOP-NTSWFWBYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
219.1
MW (Da)
1.24
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 4200.0 | nM | 5.38 | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes... | 20932609 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 35000.0 | nM | 4.46 | Displacement of [125I]-alpha-Bungarotoxin from alpha7 nAChR rat cortical membran... | 20932609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20932609 | 10.1016/j.ejmech.2010.09.009 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 20932609 | 10.1016/j.ejmech.2010.09.009 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 20932609 | 10.1016/j.ejmech.2010.09.009 | Muscarinic acetylcholine receptor M1 | 1 |
| 20932609 | 10.1016/j.ejmech.2010.09.009 | Muscarinic acetylcholine receptor M2 | 1 |
| 20932609 | 10.1016/j.ejmech.2010.09.009 | Muscarinic acetylcholine receptor M3 | 1 |
| 20932609 | 10.1016/j.ejmech.2010.09.009 | Muscarinic acetylcholine receptor M4 | 1 |
| 20932609 | 10.1016/j.ejmech.2010.09.009 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine