Compound Detail
CHEMBL112989
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Basic Information
| ChEMBL ID | CHEMBL112989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSSZOTGIGUIZQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
221.1
MW (Da)
1.99
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 13.0 | nM | 7.89 | Ability to displace radioligand [3H](-)-cytisine from Nicotinic acetylcholine re... | 12392742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12392742 | 10.1016/s0960-894x(02)00740-0 | Neuronal acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine