Compound Detail
CHEMBL320023
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Basic Information
| ChEMBL ID | CHEMBL320023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVPSJZOMAYWEBU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
3.19
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal nicotinic acetylcholine receptor CHEMBL3350222 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal nicotinic acetylcholine receptor | Ki | = | 21.0 | nM | 7.68 | Binding affinity against Nicotinic acetylcholine receptor using [3H](-)-nicotine... | 12270194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12270194 | 10.1016/s0960-894x(02)00614-5 | Mus musculus | 2 |
| 12270194 | 10.1016/s0960-894x(02)00614-5 | Neuronal nicotinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine