Compound Detail
CHEMBL168780
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Basic Information
| ChEMBL ID | CHEMBL168780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPIIPCGOWUPPLZ-SECBINFHSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
1.16
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.46
Ki 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| K177 cell line CHEMBL614687 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
| IMR-32 CHEMBL614585 | EC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 3.5 | nM | 8.46 | Binding affinity against Nicotinic Acetylcholine Receptor was determined by meas... | 8632405 |
| K177 cell line | EC50 | = | 35000.0 | nM | 4.46 | Ability to stimulate Rb+ efflux from human K177 cell preparations containing hum... | 8632405 |
| IMR-32 | EC50 | = | 38000.0 | nM | 4.42 | Ability to stimulate Rb+ efflux from human IMR-32 cell preparations containing h... | 8632405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632405 | 10.1021/jm9506884 | K177 cell line | 2 |
| 8632405 | 10.1021/jm9506884 | IMR-32 | 2 |
| 8632405 | 10.1021/jm9506884 | Neuronal acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine