Compound Detail
CHEMBL332524
HEXAMETHONIUM BROMIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL332524 |
| Name | HEXAMETHONIUM BROMIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FAPSXSAPXXJTOU-UHFFFAOYSA-L |
| Parent Compound | CHEMBL100622 |
| Active Moiety | CHEMBL100622 |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
4
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 |
| Chirality | Achiral |
Activity Summary
IC50 3 meas.
Kd 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine receptor CHEMBL2096975 | Kd | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine receptor | Kd | = | 1800.0 | nM | 5.75 | Compound was evaluated for the binding constant for association with nicotinic a... | 7996555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20382538 | 10.1016/j.bmc.2010.03.067 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 7996555 | 10.1021/jm00051a021 | Acetylcholine receptor | 1 |
| 10669577 | 10.1021/jm9911027 | Plasmodium falciparum | 1 |
| 9357523 | 10.1021/jm9701886 | Plasmodium falciparum | 1 |
| 20382538 | 10.1016/j.bmc.2010.03.067 | ADMET | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine