Compound Detail
CHEMBL3318894
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Basic Information
| ChEMBL ID | CHEMBL3318894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJBIRLCXDMVDOD-JYJNAYRXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
245.4
MW (Da)
3.08
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 100000.0 | nM | 4.0 | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR transfected in HEK293... | 25050162 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 100000.0 | nM | 4.0 | Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293... | 25050162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25050162 | 10.1021/ml500094c | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 25050162 | 10.1021/ml500094c | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 25050162 | 10.1021/ml500094c | Neuronal acetylcholine receptor; alpha4/beta4 | 1 |
| 25050162 | 10.1021/ml500094c | Nicotinic acetylcholine receptor alpha-4/beta-2 | 1 |
Data from ChEMBL 36 via Core Engine