Compound Detail
CHEMBL338558
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Basic Information
| ChEMBL ID | CHEMBL338558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBVPDLQUWWGHRG-USKTWTLRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
194.3
MW (Da)
1.90
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | IC50 | 6.92 | 6.86 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | IC50 | = | 120.0 | nM | 6.92 | Binding affinity towards nicotinic acetylcholine receptor using [3H]-cytisine as... | 14552793 |
| Neuronal acetylcholine receptor | IC50 | = | 160.0 | nM | 6.8 | Binding affinity towards nicotinic acetylcholine receptor using [125I]alpha-bung... | 14552793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552793 | 10.1016/s0960-894x(03)00728-5 | Neuronal acetylcholine receptor | 2 |
Data from ChEMBL 36 via Core Engine