Compound Detail
CHEMBL105608
HEXAMETHONIUM CHLORIDE 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 | CHEMBL105608 |
| Name | HEXAMETHONIUM CHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYIHTIJNCRKDBV-UHFFFAOYSA-L |
| Parent Compound | CHEMBL100622 |
| Active Moiety | CHEMBL100622 |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
202.4
MW (Da)
1.96
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 21700.0 | nM | 4.66 | Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated... | 12372503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10447956 | 10.1021/jm991004l | Rattus norvegicus | 8 |
| 8411013 | 10.1021/jm00072a016 | Rattus norvegicus | 4 |
| 10576697 | 10.1016/s0960-894x(99)00569-7 | Rattus norvegicus | 4 |
| 9544563 | 10.1021/np9703712 | Rattus norvegicus | 4 |
| 11520203 | 10.1021/jm001017v | Rattus norvegicus | 2 |
| 12372503 | 10.1016/s0960-894x(02)00687-x | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 12372503 | 10.1016/s0960-894x(02)00687-x | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 15225721 | 10.1016/j.bmcl.2004.05.031 | Unchecked | 1 |
| 17827016 | 10.1016/j.bmc.2007.07.041 | Unchecked | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine