Compound Detail
CHEMBL597843
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Basic Information
| ChEMBL ID | CHEMBL597843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIWIXUJADKOVEP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
1.51
ALogP
5
HBA
0
HBD
45.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 7.52 | 7.52 | 30.3 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.52 | 7.52 | 30.3 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 6.24 | 6.24 | 579.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL4972 | Ki | 6.24 | 6.24 | 579.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 30.3 | nM | 7.52 | Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expre... | 20043678 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 30.3 | nM | 7.52 | Binding affinity to alpha7 nAChR | 21919481 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 579.0 | nM | 6.24 | Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells | 20043678 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 579.0 | nM | 6.24 | Binding affinity to 5HT3 receptor | 21919481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20043678 | 10.1021/jm9015075 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 21919481 | 10.1021/jm2007672 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 20043678 | 10.1021/jm9015075 | 5-hydroxytryptamine receptor 3A | 1 |
| 21919481 | 10.1021/jm2007672 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine