Compound Detail
CHEMBL1652
AMBENONIUM 💊 Approved Drug
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💊 Approved Drug
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL1652 |
| Name | AMBENONIUM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | OMHBPUNFVFNHJK-UHFFFAOYSA-P |
| Therapeutic | ✓ Yes |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
Molecular Properties
537.6
MW (Da)
4.64
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1956 |
| Availability | Discontinued |
| Chirality | Achiral |
ATC Classification
N07AA30
ambenonium
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS
Activity Summary
Kd 3 meas. best 4.34
IC50 1 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
| Acetylcholinesterase CHEMBL3198 | Kd | 4.34 | 4.305 | 46000.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.12 | nM | 9.92 | Inhibition of bovine AChE by Ellman's method | 18585045 |
| Acetylcholinesterase | Kd | = | 46000.0 | nM | 4.34 | Binding affinity to mouse AChE by equilibrium binding assay | 18479118 |
| Unchecked | Kd | = | 48000.0 | nM | 4.32 | Binding affinity to mouse AChE S203A mutant | 18479118 |
| Acetylcholinesterase | Kd | = | 54000.0 | nM | 4.27 | Binding affinity to mouse AChE | 18479118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-1 adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Neuronal acetylcholine receptor subunit alpha-4 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18585045 | 10.1016/j.bmc.2008.06.022 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine