Compound Detail
CHEMBL140648
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Basic Information
| ChEMBL ID | CHEMBL140648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANKBLHAFIHJILB-SECBINFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
1.62
ALogP
5
HBA
0
HBD
55.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 890.0 | nM | 6.05 | 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 | 1 |
Data from ChEMBL 36 via Core Engine