Compound Detail
CHEMBL1190
DECAMETHONIUM 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1190 |
| Name | DECAMETHONIUM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | MTCUAOILFDZKCO-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names
Molecular Properties
258.5
MW (Da)
3.52
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Discontinued |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 6.09
Ki 4 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Acetylcholinesterase CHEMBL3198 | Ki | 5.46 | 5.46 | 3500.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | IC50 | = | 820.0 | nM | 6.09 | Inhibition of histamine H3 receptor | 18249544 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of C57BL/6 mouse synaptosomal choline transporter | 17827016 |
| Acetylcholinesterase | Ki | = | 3500.0 | nM | 5.46 | Inhibition of mouse AChE | 18479118 |
| Acetylcholinesterase | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of AChE | 18249544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 2 |
| 16279781 | 10.1021/jm0503289 | Acetylcholinesterase | 2 |
| 18249544 | 10.1016/j.bmc.2007.12.048 | Histamine H3 receptor | 1 |
| - | 10.1584/jpestics.17.4_231 | Nicotinic acetylcholine receptor alpha 5 subunit | 1 |
| 18249544 | 10.1016/j.bmc.2007.12.048 | Acetylcholinesterase | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 17827016 | 10.1016/j.bmc.2007.07.041 | Unchecked | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine