tubocurarine Indications/Contra | FAERs | Orange Book | BioActivity |

Stem definitionDrug idCAS RN
2781 57-94-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • tubocurarine
  • tubocurarine chloride
  • (+)-Tubocurarine chloride
  • (+)-Tubocurarine dichloride
  • D-Tubocurarine
  • dextrotubocurarine chloride
  • tubocurarine hydrochloride
  • tubocurarine HCl
A neuromuscular blocker and active ingredient in CURARE; plant based alkaloid of Menispermaceae.
  • Molecular weight: 609.74
  • Formula: C37H41N2O6
  • CLOGP: 3.55
  • LIPINSKI: 1
  • HAC: 8
  • HDO: 2
  • TPSA: 80.62
  • ALOGS: -6.30
  • ROTB: 2

Drug dosage:

None

Approvals:

DateAgencyCompanyOrphan
Feb. 20, 1945 FDA BRISTOL MYERS SQUIBB

FDA Adverse Event Reporting System

None

Pharmacologic Action:

SourceCodeDescription
ATC M03AA02 MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Curare alkaloids
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:88188 drug allergen
CHEBI has role CHEBI:48878 nicotinic antagonist
CHEBI has role CHEBI:51371 muscle relaxant

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Muscle relaxation, function indication 11977004

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.14 acidic
pKa2 9.23 acidic
pKa3 8.6 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
Acetylcholine receptor Ion channel ANTAGONIST IC50 7.62 WOMBAT-PK CHEMBL
Neuronal acetylcholine receptor; alpha2/beta2 Ion channel IC50 7.38 WOMBAT-PK
Neuronal acetylcholine receptor; alpha4/beta4 Ion channel Ki 6.07 WOMBAT-PK
Neuronal acetylcholine receptor; alpha4/beta2 Ion channel Ki 5.58 WOMBAT-PK
5-hydroxytryptamine receptor 3A Ion channel Ki 7.06 WOMBAT-PK
Muscarinic acetylcholine receptor M2 GPCR Ki 7.01 WOMBAT-PK
Small conductance calcium-activated potassium channel protein 3 Ion channel BLOCKER IC50 4.50 IUPHAR
Small conductance calcium-activated potassium channel protein 1 Ion channel BLOCKER IC50 4.60 IUPHAR
Serotonin 3 receptor (5HT3) Ion channel ANTAGONIST Ki 4.50 IUPHAR
Small conductance calcium-activated potassium channel protein 2 Ion channel BLOCKER IC50 5.70 IUPHAR
Solute carrier family 22 member 2 Transporter IC50 4.10 CHEMBL
GABA-A receptor; anion channel Ion channel IC50 4.24 CHEMBL
Multidrug and toxin extrusion protein 2 Transporter IC50 4.26 CHEMBL
Multidrug and toxin extrusion protein 1 Transporter IC50 5.03 CHEMBL
Zinc-activated ligand-gated ion channel Ion channel IC50 5.20 CHEMBL
Neuronal acetylcholine receptor subunit alpha-7 Ion channel IC50 5.51 CHEMBL
Acetylcholine receptor; alpha1/beta1/delta/gamma Ion channel IC50 7.09 CHEMBL
Neuronal acetylcholine receptor; alpha3/beta4 Ion channel IC50 5.70 CHEMBL
Small conductance calcium-activated potassium channel protein 3 Ion channel Ki 5.04 CHEMBL
Acetylcholine receptor subunit alpha Ion channel IC50 5.22 CHEMBL
Neuronal acetylcholine receptor subunit alpha-7 Ion channel Ki 5.32 CHEMBL
Neuronal acetylcholine receptor; alpha4/beta2 Ion channel Ki 5.01 CHEMBL
Nicotinic acetylcholine receptor alpha 5 subunit Ion channel Ki 5.73 CHEMBL
5-hydroxytryptamine receptor 3A Ion channel ANTAGONIST Ki 7.10 IUPHAR
Small conductance calcium-activated potassium channel protein 2 Unclassified BLOCKER IC50 5.60 IUPHAR

External reference:

IDSource
4019965 VUID
N0000148050 NUI
C0041345 UMLSCUI
D08655 KEGG_DRUG
37803001 SNOMEDCT_US
4019965 VANDF
10917 RXNORM
373486008 SNOMEDCT_US
d00949 MMSL
002399 NDDF
900961Z8VR UNII
6989-98-6 SECONDARY_CAS_RN
CHEMBL339427 ChEMBL_ID
CHEMBL1687 ChEMBL_ID
TC9 PDB_CHEM_ID
TUB PDB_CHEM_ID
DB01199 DRUGBANK_ID
CHEBI:9774 CHEBI
D014403 MESH_DESCRIPTOR_UI
CHEMBL2063769 ChEMBL_ID
CHEMBL3989821 ChEMBL_ID
6000 PUBCHEM_CID
2294 IUPHAR_LIGAND_ID

Pharmaceutical products:

None