Compound Detail
CHEMBL292054
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Basic Information
| ChEMBL ID | CHEMBL292054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIRFWXCFBPYLDL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.0
MW (Da)
2.08
ALogP
3
HBA
1
HBD
34.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 7.97 | 7.97 | 10.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 10.72 | nM | 7.97 | In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylc... | 12747776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 2 |
| 12747776 | 10.1021/jm020859m | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine