Compound Detail
CHEMBL141310
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Basic Information
| ChEMBL ID | CHEMBL141310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJWQJKIBSTUSBQ-SSDOTTSWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
168.3
MW (Da)
1.88
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 51.0 | nM | 7.29 | In vitro binding affinity to neuronal nAChRs was determined by measuring the dis... | 7799396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7799396 | 10.1021/jm00052a005 | Neuronal acetylcholine receptor | 2 |
Data from ChEMBL 36 via Core Engine