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

Stem definitionDrug idCAS RN
908 5152-30-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • trimethyltubocurarine iodide
  • metocurine iodide
  • dimethyltubocurarine
  • metocurine
  • dimethyltubocurarinium
  • dimethyltubocurarinium chloride
from Chinese herb Cyclea hainanensis Mrr
  • Molecular weight: 652.83
  • Formula: C40H48N2O6
  • CLOGP: 1.12
  • LIPINSKI: 1
  • HAC: 8
  • HDO: 0
  • TPSA: 55.38
  • ALOGS: -8.05
  • ROTB: 4

  • Status: OFM

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 3 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 3 mg/mL Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 50 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 0.33 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
Vd (Volume of distribution) 0.40 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 1.20 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.65 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 5.10 hours Lombardo F, Berellini G, Obach RS

Approvals:

DateAgencyCompanyOrphan
None FDA LILLY

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC M03AA04 MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Curare alkaloids
MeSH PA D009465 Neuromuscular Agents
MeSH PA D009466 Neuromuscular Blocking Agents
MeSH PA D003473 Neuromuscular Nondepolarizing Agents
MeSH PA D018373 Peripheral Nervous System Agents

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Muscle relaxation, function indication 11977004

Acid dissociation constants calculated using MoKa v3.0.0

None

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 7.74 WOMBAT-PK CHEMBL
Neuronal acetylcholine receptor; alpha2/beta2 Ion channel WOMBAT-PK

External reference:

IDSource
4017449 VUID
N0000145837 NUI
C0700566 UMLSCUI
D00761 KEGG_DRUG
947TXZ810I UNII
35-67-6 SECONDARY_CAS_RN
CHEMBL1259 ChEMBL_ID
DB00416 DRUGBANK_ID
CHEMBL1739 ChEMBL_ID
CU9 PDB_CHEM_ID
CHEBI:6900 CHEBI
C032943 MESH_SUPPLEMENTAL_RECORD_UI
CHEMBL2105841 ChEMBL_ID
24892848 PUBCHEM_CID
C015836 MESH_SUPPLEMENTAL_RECORD_UI
203206 RXNORM
1325004 SNOMEDCT_US
5100 MMSL
4017449 VANDF
002401 NDDF
DB01336 DRUGBANK_ID

Pharmaceutical products:

None