Compound Detail
CHEMBL113076
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Basic Information
| ChEMBL ID | CHEMBL113076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSNAEMBEDSWMSL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
200.7
MW (Da)
1.68
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 7.13 | 7.13 | 74.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 74.0 | nM | 7.13 | Ability to displace radioligand [3H](-)-cytisine from Nicotinic acetylcholine re... | 12392742 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 450.0 | nM | 6.35 | Displacement of [3H]nicotine from Homo sapiens (human) alpha4beta2 nicotinic ace... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-005-0137-8 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 12392742 | 10.1016/s0960-894x(02)00740-0 | Neuronal acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine