Compound Detail
CHEMBL1200993
GALLAMINE TRIETHIODIDE 💊 Approved Drug
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💊 Approved Drug
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL1200993 |
| Name | GALLAMINE TRIETHIODIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | REEUVFCVXKWOFE-UHFFFAOYSA-K |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL360055 |
| Active Moiety | CHEMBL360055 |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
11
Known Names
1
Mechanisms
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 |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Muscle-type nicotinic acetylcholine receptor antagonist | ANTAGONIST | Muscle-type nicotinic acetylcholine receptor | ✓ | ✓ |
Activity Summary
Ki 3 meas. best 6.33
IC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.33 | 5.97 | 467.7 | 3 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.11 | 5.905 | 776.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 467.74 | nM | 6.33 | Displacement of [3H]UNSW-MK259 from human muscarinic acetylcholine receptor M2 e... | 28388054 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 711.0 | nM | 6.15 | DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) | - |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 776.25 | nM | 6.11 | Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expresse... | 28388054 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 1999.0 | nM | 5.7 | DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) | - |
| Muscarinic acetylcholine receptor M2 | Ki | = | 3715.35 | nM | 5.43 | Displacement of [3H]UR-AP060 from human muscarinic acetylcholine receptor M2 exp... | 28388054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 332 |
| 28388054 | 10.1021/acs.jmedchem.6b01892 | Muscarinic acetylcholine receptor M2 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 20843939 | 10.1124/dmd.110.035113 | Hepatotoxicity | 1 |
| 20020916 | 10.1080/15376510701857262 | Phospholipidosis | 1 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 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 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 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