Compound Detail
CHEMBL343169
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Basic Information
| ChEMBL ID | CHEMBL343169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QARDLIPNCAPWCY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
0.63
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.49 | 6.49 | 325.0 | 1 |
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 6.49 | 6.49 | 325.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 325.0 | nM | 6.49 | The binding affinity towards nicotinic acetylcholine receptor | 12361399 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 325.0 | nM | 6.49 | Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogena... | 12639569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361399 | 10.1021/jm020188s | Neuronal acetylcholine receptor | 1 |
| 12639569 | 10.1016/s0960-894x(02)01031-4 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine