Compound Detail
CHEMBL1180634
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Basic Information
| ChEMBL ID | CHEMBL1180634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEHTUJKNDCNRDK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.09
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-6/beta-3 CHEMBL3883329 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 49.0 | nM | 7.31 | Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat s... | 26164842 |
| Neuronal acetylcholine receptor subunit alpha-6/beta-3 | Ki | = | 21000.0 | nM | 4.68 | Displacement of [3H]epibatidine from immunoimmobilized alpha6beta2 nAChR in Spra... | 26164842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26164842 | 10.1016/j.ejmech.2015.06.039 | D(2) dopamine receptor | 2 |
| 26164842 | 10.1016/j.ejmech.2015.06.039 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 26164842 | 10.1016/j.ejmech.2015.06.039 | Neuronal acetylcholine receptor subunit alpha-6/beta-3 | 1 |
| 26164842 | 10.1016/j.ejmech.2015.06.039 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine