Compound Detail
CHEMBL426974
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Basic Information
| ChEMBL ID | CHEMBL426974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSZQXCJRVPDKIE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
236.8
MW (Da)
3.12
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 9.89 | 9.4167 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.13 | nM | 9.89 | Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-be... | - |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.35 | nM | 9.46 | Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-be... | - |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 1.25 | nM | 8.9 | Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-be... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.bmcl.2004.08.026 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
Data from ChEMBL 36 via Core Engine