Compound Detail
CHEMBL440195
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Basic Information
| ChEMBL ID | CHEMBL440195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKTQWLYJCQUWGP-SECBINFHSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
1.21
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.37
Ki 1 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 9.85 | 9.85 | 0.1 | 1 |
| K177 cell line CHEMBL614687 | EC50 | 5.37 | 5.37 | 4300.0 | 1 |
| IMR-32 CHEMBL614585 | EC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 0.14 | nM | 9.85 | Binding affinity against Nicotinic Acetylcholine Receptor was determined by meas... | 8632405 |
| K177 cell line | EC50 | = | 4300.0 | nM | 5.37 | Ability to stimulate Rb+ efflux from human K177 cell preparations containing hum... | 8632405 |
| IMR-32 | EC50 | = | 5800.0 | nM | 5.24 | 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