Compound Detail
CHEMBL5186396
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Basic Information
| ChEMBL ID | CHEMBL5186396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAYONKYSJFJACM-GEEYTBSJSA-M |
| Parent Compound | CHEMBL5221880 |
| Active Moiety | CHEMBL5221880 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.6
MW (Da)
6.29
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 6.1 | 6.1 | 794.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 794.0 | nM | 6.1 | Displacement of [3H]-epibatidine from human alpha3beta4 nAChR expressed in SH-EP... | 35834819 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 3300.0 | nM | 5.48 | Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH... | 35834819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35834819 | 10.1021/acs.jmedchem.2c00746 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 35834819 | 10.1021/acs.jmedchem.2c00746 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine