Compound Detail
CHEMBL365323
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Basic Information
| ChEMBL ID | CHEMBL365323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSOHJAKQLOENEM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
2.73
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 7.84 | 7.84 | 14.6 | 2 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 7.3 | 7.3 | 49.8 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 7.3 | 7.3 | 49.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 14.6 | nM | 7.84 | Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expresse... | 16165358 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 14.6 | nM | 7.84 | Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cell... | 23126648 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 49.8 | nM | 7.3 | Binding affinity for human 5-hydroxytryptamine 3 serotonin membrane receptor usi... | 16165358 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 49.8 | nM | 7.3 | Inhibition of human 5HT3R | 23126648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16165358 | 10.1016/j.bmcl.2005.07.070 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 16165358 | 10.1016/j.bmcl.2005.07.070 | Serotonin 3 (5-HT3) receptor | 1 |
| 23126648 | 10.1021/jm301048a | 5-hydroxytryptamine receptor 3A | 1 |
| 23126648 | 10.1021/jm301048a | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine