Compound Detail
CHEMBL181428
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Basic Information
| ChEMBL ID | CHEMBL181428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSMKGTFHOISOFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.50
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.22 | 10.22 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.06 | nM | 10.22 | Inhibition of alpha beta[3H]epibatidine binding to Nicotinic acetylcholine recep... | 15317468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15317468 | 10.1021/jm040078g | Mus musculus | 7 |
| 15317468 | 10.1021/jm040078g | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine