Compound Detail
CHEMBL130814
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Basic Information
| ChEMBL ID | CHEMBL130814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHXZTDLBLWHZEJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
1.85
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 8.72 | 8.675 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 1.89 | nM | 8.72 | Displacement of [3H]cytisine from Nicotinic acetylcholine receptor alpha4-beta2 ... | 12190326 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 2.32 | nM | 8.63 | Displacement of [3H]cytisine from Nicotinic acetylcholine receptor alpha4-beta2 ... | 12190326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12190326 | 10.1021/jm020916b | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
Data from ChEMBL 36 via Core Engine