Compound Detail
CHEMBL1947054
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Basic Information
| ChEMBL ID | CHEMBL1947054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVQCTZVWEBSXKK-WKCHPHFGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
4.08
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine-binding protein CHEMBL6084 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Soluble acetylcholine receptor CHEMBL1944497 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine-binding protein | Ki | = | 398.11 | nM | 6.4 | Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding pro... | 22243960 |
| Soluble acetylcholine receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding p... | 22243960 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 5011.87 | nM | 5.3 | Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by sci... | 22243960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Acetylcholine-binding protein | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Soluble acetylcholine receptor | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine