Compound Detail
CHEMBL275466
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Basic Information
| ChEMBL ID | CHEMBL275466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVSNVPGPFGAKPT-NUHJPDEHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
234.7
MW (Da)
3.03
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.4 | 10.4 | 0.0 | 1 |
| Neuronal acetylcholine receptor subunit beta-4 CHEMBL2658 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.04 | nM | 10.4 | Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]e... | 11855986 |
| Neuronal acetylcholine receptor subunit beta-4 | Ki | = | 1.3 | nM | 8.89 | Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]e... | 11855986 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 12.0 | nM | 7.92 | Binding affinity to subtype Nicotinic acetylcholine receptor alpha7 using [3H]-M... | 11855986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11855986 | 10.1021/jm010936y | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 11855986 | 10.1021/jm010936y | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 11855986 | 10.1021/jm010936y | Neuronal acetylcholine receptor subunit beta-4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha2/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine