Compound Detail
CHEMBL195345
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Basic Information
| ChEMBL ID | CHEMBL195345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIRLVGYIIVFTLI-IBGZPJMESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.15
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 8.7 | 8.605 | 2.0 | 2 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 2.0 | nM | 8.7 | Binding affinity to 5-HT3A receptor (unknown origin) | 29050783 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 2.0 | nM | 8.7 | Binding affinity to human alpha7 nAChR | 29050783 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 3.1 | nM | 8.51 | Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expresse... | 16165358 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 73.0 | nM | 7.14 | Binding affinity for human 5-hydroxytryptamine 3 serotonin membrane receptor usi... | 16165358 |
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 |
| 29050783 | 10.1016/j.bmcl.2017.10.009 | 5-hydroxytryptamine receptor 3A | 1 |
| 29050783 | 10.1016/j.bmcl.2017.10.009 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine