Compound Detail
CHEMBL352018
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Basic Information
| ChEMBL ID | CHEMBL352018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXYSPQALCJKBDE-INIZCTEOSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
5.26
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.63
Ki 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Nicotinic acetylcholine receptor alpha3/betaX CHEMBL2111384 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 2.4 | nM | 8.62 | In vitro ability to displace [3H](-)-cytisine binding to whole rat brain membran... | 11266158 |
| Nicotinic acetylcholine receptor alpha3/betaX | IC50 | = | 2350.0 | nM | 5.63 | Antagonistic activity against neuronal nicotinic acetylcholine receptor (alpha3-... | 11266158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266158 | 10.1016/s0960-894x(01)00030-0 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 11266158 | 10.1016/s0960-894x(01)00030-0 | Nicotinic acetylcholine receptor alpha3/betaX | 1 |
Data from ChEMBL 36 via Core Engine