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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 1273 | 153-76-4 |
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| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.27 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.51 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2.52 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | DAVIS AND GECK |
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| Source | Code | Description |
|---|---|---|
| ATC | M03AC02 | MUSCULO-SKELETAL SYSTEM MUSCLE RELAXANTS MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS Other quaternary ammonium compounds |
| MeSH PA | D003473 | Neuromuscular Nondepolarizing Agents |
| MeSH PA | D009465 | Neuromuscular Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D018680 | Cholinergic Antagonists |
| MeSH PA | D018733 | Nicotinic Antagonists |
| CHEBI has role | CHEBI:48873 | cholinergic antagonist |
| CHEBI has role | CHEBI:51371 | muscle relaxant |
| CHEBI has role | CHEBI:88188 | drug allergen |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | GPCR | NEGATIVE ALLOSTERIC MODULATOR | Ki | 6.15 | DRUG MATRIX | SCIENTIFIC LITERATURE | |||
| Acetylcholinesterase | Enzyme | Ki | 4.43 | CHEMBL | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 5.07 | CHEMBL | |||||
| Acetylcholine receptor subunit alpha | Ion channel | BLOCKER | IC50 | 6 | IUPHAR | ||||
| Acetylcholinesterase | Enzyme | Ki | 4.82 | CHEMBL | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | EC50 | 6.89 | CHEMBL | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | ALLOSTERIC MODULATOR | Ki | 5.60 | IUPHAR |
| ID | Source |
|---|---|
| 4018916 | VUID |
| N0000147209 | NUI |
| D02292 | KEGG_DRUG |
| 65-29-2 | SECONDARY_CAS_RN |
| 4018916 | VANDF |
| GMN | PDB_CHEM_ID |
| CHEMBL360055 | ChEMBL_ID |
| CHEMBL1200993 | ChEMBL_ID |
| 356 | IUPHAR_LIGAND_ID |
| DB13584 | DRUGBANK_ID |
| 1146X1WTNM | UNII |
| DB00483 | DRUGBANK_ID |
| 151770 | RXNORM |
| 002402 | NDDF |
| 005160 | NDDF |
| 387097006 | SNOMEDCT_US |
| 387435005 | SNOMEDCT_US |
| 76286000 | SNOMEDCT_US |
| C0016971 | UMLSCUI |
| D005703 | MESH_DESCRIPTOR_UI |
| CHEBI:94609 | CHEBI |
| 67425 | PUBCHEM_CID |
| 1928 | INN_ID |
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