Compound Detail
CHEMBL2409473
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Basic Information
| ChEMBL ID | CHEMBL2409473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMOYAAVIEIXMBH-URLYPYJESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.10
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membrane... | 23692872 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 15000.0 | nM | 4.82 | Displacement of [3H]Epibatidine from human alpha7 nACHR expressed in CHO cell me... | 23692872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23692872 | 10.1016/j.bmcl.2013.04.058 | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 23692872 | 10.1016/j.bmcl.2013.04.058 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 23692872 | 10.1016/j.bmcl.2013.04.058 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine