Compound Detail
CHEMBL331161
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Basic Information
| ChEMBL ID | CHEMBL331161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDEMKXUAULKYJV-BGYRXZFFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
4.39
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 7800.0 | nM | 5.11 | Evaluated for its binding affinity towards Nicotinic acetylcholine receptor in r... | 10479304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479304 | 10.1021/jm990286m | Neuronal acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine