Compound Detail
CHEMBL5542742
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Basic Information
| ChEMBL ID | CHEMBL5542742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOKITGOTJCBZJL-GPMSIDNRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
4.63
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | IC50 | 6.16 | 6.13 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of epibatidine-induced receptor activation at rat alpha3beta4 nAChR e... | 38151460 |
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 794.33 | nM | 6.1 | Inhibition of epibatidine-induced receptor activation at rat alpha3beta4 nAChR e... | 38151460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38151460 | 10.1021/acs.jmedchem.3c01758 | Neuronal acetylcholine receptor; alpha3/beta4 | 4 |
Data from ChEMBL 36 via Core Engine