alcuronium Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
neuromuscular blocking agents with rigid structure 109 23214-96-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • alcuronium
  • diallylnortoxiferine
  • diallyltoxiferine
  • alcuronium chloride
  • alnortoxiferine
  • allnortoxiferine
  • dialferine
  • alcuronium dichloride
A non-depolarizing skeletal muscle relaxant similar to TUBOCURARINE. It is used as an anesthesia adjuvant, for endotracheal intubation and to produce muscle relaxation in general anesthesia during surgical procedures.
  • Molecular weight: 666.91
  • Formula: C44H50N4O2
  • CLOGP: -3.49
  • LIPINSKI: 1
  • HAC: 6
  • HDO: 2
  • TPSA: 46.94
  • ALOGS: -6.48
  • ROTB: 6

Drug dosage:

None

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 0.37 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 0 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 0.32 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 1.30 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 3.60 hours Lombardo F, Berellini G, Obach RS

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1963 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC M03AA01 MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Curare alkaloids
MeSH PA D000759 Adjuvants, Anesthesia
MeSH PA D002491 Central Nervous System Agents
MeSH PA D018678 Cholinergic Agents
MeSH PA D018680 Cholinergic Antagonists
MeSH PA D009465 Neuromuscular Agents
MeSH PA D009466 Neuromuscular Blocking Agents
MeSH PA D003473 Neuromuscular Nondepolarizing Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018733 Nicotinic Antagonists
MeSH PA D018373 Peripheral Nervous System Agents
CHEBI has role CHEBI:51371 muscle relaxants

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 13.87 acidic
pKa2 8.61 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Muscarinic acetylcholine receptor M2 GPCR ALLOSTERIC MODULATOR Kd 6.90 IUPHAR
Muscarinic acetylcholine receptor M3 GPCR ALLOSTERIC MODULATOR Kd 5.80 IUPHAR
Muscarinic acetylcholine receptor M1 GPCR ALLOSTERIC MODULATOR Kd 5 IUPHAR
Neuronal acetylcholine receptor; alpha4/beta4 Ion channel IC50 4.35 WOMBAT-PK
Acetylcholine receptor Ion channel WOMBAT-PK
Neuronal acetylcholine receptor subunit alpha-2 Ion channel Ki 4.72 WOMBAT-PK
Muscarinic acetylcholine receptor M4 GPCR Ki 5.60 WOMBAT-PK
Neuronal acetylcholine receptor subunit alpha-7 Ion channel Ki 5.96 WOMBAT-PK
Muscarinic acetylcholine receptor M2 GPCR EC50 8.70 CHEMBL

External reference:

IDSource
S8U3J5W06N UNII
N0000166958 NUI
D01215 KEGG_DRUG
15180-03-7 SECONDARY_CAS_RN
C0001981 UMLSCUI
CHEBI:31185 CHEBI
CHEMBL3305985 ChEMBL_ID
CHEMBL1180293 ChEMBL_ID
CHEMBL3188339 ChEMBL_ID
DB13648 DRUGBANK_ID
D000443 MESH_DESCRIPTOR_UI
5311001 PUBCHEM_CID
2166 INN_ID
341 IUPHAR_LIGAND_ID
460 RXNORM
003922 NDDF
004815 NDDF
350063006 SNOMEDCT_US
395958004 SNOMEDCT_US

Pharmaceutical products:

None