Compound Detail
CHEMBL2096794
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Basic Information
| ChEMBL ID | CHEMBL2096794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTLXSRJGECVFKB-QMMMGPOBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
156.2
MW (Da)
1.10
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 680.0 | nM | 6.17 | Inhibition of [3H]epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine ... | 15501049 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501049 | 10.1016/j.bmcl.2004.09.044 | Muscarinic acetylcholine receptor | 1 |
| 15501049 | 10.1016/j.bmcl.2004.09.044 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 15501049 | 10.1016/j.bmcl.2004.09.044 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine