Compound Detail
CHEMBL1950167
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1950167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YACBGDSMMTUWNX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.78
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 10.64 | 10.08 | 0.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 6.33 | 6.33 | 470.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 0.023 | nM | 10.64 | Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain | 22281189 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 0.3 | nM | 9.52 | Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR... | 24050653 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 470.0 | nM | 6.33 | Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells | 22281189 |
| Unchecked | Ki | = | 660.0 | nM | 6.18 | Binding affinity to 5HT3 | 22281189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22281189 | 10.1016/j.bmcl.2011.12.126 | Neuronal acetylcholine receptor subunit alpha-7 | 3 |
| 22281189 | 10.1016/j.bmcl.2011.12.126 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 22281189 | 10.1016/j.bmcl.2011.12.126 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 22281189 | 10.1016/j.bmcl.2011.12.126 | Unchecked | 1 |
| 22281189 | 10.1016/j.bmcl.2011.12.126 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22281189 | 10.1016/j.bmcl.2011.12.126 | Nucleic Acid | 1 |
| 22281189 | 10.1016/j.bmcl.2011.12.126 | Rattus norvegicus | 1 |
| 24050653 | 10.1021/jm401184f | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine