Compound Detail
CHEMBL5571845
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Basic Information
| ChEMBL ID | CHEMBL5571845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWMJARSKNASUHI-NFAWXSAZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
276.8
MW (Da)
4.13
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | IC50 | 5.8 | 5.785 | 1584.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of epibatidine-induced receptor activation at rat alpha3beta4 nAChR e... | 38151460 |
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 1700.0 | nM | 5.77 | 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