Compound Detail
CHEMBL72031
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 | CHEMBL72031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQEFJGXPIXHFQT-VIFPVBQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
1.43
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-10 CHEMBL3461 | Ki | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-10 | Ki | = | 52.0 | nM | 7.28 | Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by usi... | - |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 52.0 | nM | 7.28 | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes b... | 26225816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00416-7 | Neuronal acetylcholine receptor subunit alpha-10 | 1 |
| 26225816 | 10.1021/acs.jmedchem.5b00904 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine