Compound Detail
CHEMBL373144
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Basic Information
| ChEMBL ID | CHEMBL373144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKAUAOBCDVMNHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
173.3
MW (Da)
1.94
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 34.0 | nM | 7.47 | Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human ... | 15908213 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 65.0 | nM | 7.19 | Inhibition of [3H]-nicotine binding to nicotinic acetylcholine receptor alpha4-b... | 15908213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15908213 | 10.1016/j.bmcl.2005.04.036 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
Data from ChEMBL 36 via Core Engine