Compound Detail
CHEMBL305820
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Basic Information
| ChEMBL ID | CHEMBL305820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXWRSTLOGBZMGL-NSHDSACASA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.17
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.76 | 6.49 | 175.0 | 2 |
| Neuronal acetylcholine receptor subunit alpha-10 CHEMBL3461 | Ki | 6.76 | 6.76 | 175.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-10 | Ki | = | 175.0 | nM | 6.76 | Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by usi... | - |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 175.0 | nM | 6.76 | Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain | 27818109 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 600.0 | nM | 6.22 | Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex m... | 27818109 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 4500.0 | nM | 5.35 | Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 ... | 27818109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27818109 | 10.1016/j.bmcl.2016.10.078 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| - | 10.1016/0960-894X(96)00416-7 | Neuronal acetylcholine receptor subunit alpha-10 | 1 |
| 27818109 | 10.1016/j.bmcl.2016.10.078 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 27818109 | 10.1016/j.bmcl.2016.10.078 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine