Compound Detail
CHEMBL193889
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Basic Information
| ChEMBL ID | CHEMBL193889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOACWYIUZSUINZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
3.06
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 72.0 | nM | 7.14 | Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human ... | 15908213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15908213 | 10.1016/j.bmcl.2005.04.036 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine