Compound Detail
CHEMBL190851
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Basic Information
| ChEMBL ID | CHEMBL190851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXSOVMSTJJYBOO-QWHCGFSZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
1.25
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 8.49 | 8.275 | 3.2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 5.91 | 5.91 | 1240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 3.2 | nM | 8.49 | Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor i... | 19548687 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 8.7 | nM | 8.06 | Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine r... | 19548687 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 1240.0 | nM | 5.91 | Displacement of [125I]alpha-bungarotoxin from alpha7 nicotinic acetylcholine rec... | 19548687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19548687 | 10.1021/jm900225j | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 19548687 | 10.1021/jm900225j | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine