Compound Detail
CHEMBL612097
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Basic Information
| ChEMBL ID | CHEMBL612097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKOISXUHUSCVOV-VBKFSLOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
255.4
MW (Da)
3.07
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | IC50 | = | 81000.0 | nM | 4.09 | 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