Compound Detail
CHEMBL190524
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Basic Information
| ChEMBL ID | CHEMBL190524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNDCHCKPYHFVAW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
0.95
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
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 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 2.39 | nM | 8.62 | Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor... | 16078832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078832 | 10.1021/jm040881a | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 16078832 | 10.1021/jm040881a | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16078832 | 10.1021/jm040881a | Rattus | 1 |
Data from ChEMBL 36 via Core Engine