Compound Detail
CHEMBL360055
GALLAMINE 💊 Approved Drug
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💊 Approved Drug
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC
Basic Information
| ChEMBL ID | CHEMBL360055 |
| Name | GALLAMINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | OZLPUNFFCJDMJD-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
5
Targets
12
Activities
3
Assay Types
0
PK Parameters
20
Publications
1
Known Names
Molecular Properties
510.8
MW (Da)
5.45
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Discontinued |
| Chirality | Achiral |
ATC Classification
M03AC02
gallamine
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: MUSCLE RELAXANTS
Activity Summary
IC50 5 meas. best 4.92
EC50 4 meas. best 6.89
Ki 3 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 6.89 | 6.885 | 130.0 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.07 | 5.07 | 8511.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Acetylcholinesterase CHEMBL4780 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
| Acetylcholinesterase CHEMBL220 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 130.0 | nM | 6.89 | Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor | 17944454 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 131.83 | nM | 6.88 | Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor | 17944454 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 8511.38 | nM | 5.07 | Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 1... | 22329602 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of apamin-sensitive SKCa channel of guinea-pig hepatocytes | 15225721 |
| Acetylcholinesterase | Ki | = | 15000.0 | nM | 4.82 | Inhibition of Torpedo californica AChE | 18479118 |
| Acetylcholinesterase | Ki | = | 37000.0 | nM | 4.43 | Inhibition of human AChE | 18479118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22329602 | 10.1021/jm201348t | Muscarinic acetylcholine receptor M1 | 5 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 4 |
| 17944454 | 10.1021/jm070859s | Acetylcholinesterase | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 3 |
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Amine oxidase [flavin-containing] A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 2 |
| 17944454 | 10.1021/jm070859s | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine