Compound Detail
CHEMBL612086
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Basic Information
| ChEMBL ID | CHEMBL612086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNONMNIXSVWCFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
2.81
ALogP
3
HBA
0
HBD
20.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | IC50 | = | 10400.0 | nM | 4.98 | Binding affinity towards nicotinic acetylcholine receptor using [3H]-cytisine as... | 14552793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552793 | 10.1016/s0960-894x(03)00728-5 | Neuronal acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine