Details of the Drug

General Information of Drug (ID: DMB0VY8)

Drug Name

Pancuronium

Synonyms

Mioblock; Pavulon; Bromure de pancuronium; Bromuro de pancuronio; PANCURONIUM BROMIDE; Pancuronii bromidum; Pancuronium dibromide; Poncuronium bromide; NA 97; ORG NA 97; P 1918; Bromure de pancuronium [INN-French]; Bromuro de pancuronio [INN-Spanish]; ORG-NA 97; Pancuronii bromidum [INN-Latin]; Pavulon (TN); Pancuronium bromide (JP15/USAN/INN); Pancuronium bromide [USAN:BAN:INN:JAN]; Piperidinium, 1,1'-(3alpha,17beta-dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1-methyl-, dibromide, diacetate; Piperidinium, 1,1'-(3alpha,17beta-dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1-methyl-, dibromide, diacetate (8CI); Piperidinium, 1,1'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl)-, dibromide; Piperidinium, 1,1'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-, dibromide; Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, diacetate; Piperidinium, 1,1'-[(2.beta.,3.alpha.,5.alpha.,16.beta.,17.beta.)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide; (2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2,16-bis(1-methylpiperidinium-1-yl)androstane dibromide; [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide; 1,1'-(3,17-Bis(acetyloxy)androstane-2,16-diyl)bis(1-methylpiperidinium) dibromide; 1,1'-(3alpha,17beta-Bis(acetyloxy)-5alpha-androstane-2beta,16beta-diyl)bis(1-methylpiperidinium) dibromide; 1,1'-(3alpha,17beta-Dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1-methylpiperidinium) dibromide diacetate; 1,1'-([2beta,3alpha,5alpha,16beta,17beta]-3,17-Bis[acetyloxy]androstane-2,16-diyl)bis(1-methylpiperidinium) dibromide; 1,1'-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(Acetyloxy)androstane-2,16-diyl]bis(1-methylpiperidinium) dibromide; 2beta,16beta-Dipiperidino-5alpha-androstane-3alpha,17beta-diol diacetate dimethobromide; 2beta,16beta-Dipiperidino-5alpha-androstane-3alpha,17beta-dioldiacetatedimethobromide; 3-alpha,17-beta-Diacetoxy-2-beta,16-beta-dipiperidino-5-alpha-androstane dimethobromide; 3alpha,17beta-Diacetoxy-2beta,16beta-dipiperidino-5alpha-androstane dimethobromide; 3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane; 3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane dibromide; 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, diacetate

Indication

Disease Entry	ICD 11	Status	REF
Anaesthesia	9A78.6	Approved	[1]
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Therapeutic Class

Neuromuscular Nondepolarizing Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

572.9

Logarithm of the Partition Coefficient (xlogp)

6.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
Clearance: The plasma clearance of drug is 1.1C1.9 mL/min/kg []
Elimination: 67% of drug is excreted from urine in the unchanged form [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 1.5 - 2.7 hours [3]
Metabolism: The drug is metabolized via the hepatic []
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.17456 micromolar/kg/day [4]
Unbound Fraction: The unbound fraction of drug in plasma is 0.09% [3]
Vd: The volume of distribution (Vd) of drug is 0.241-0.28 L/kg []

Chemical Identifiers

Formula: C35H60N2O4+2
IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Canonical SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C
InChI: InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey: GVEAYVLWDAFXET-XGHATYIMSA-N

Cross-matching ID

PubChem CID: 441289
ChEBI ID: CHEBI:7907
CAS Number: 16974-53-1
DrugBank ID: DB01337
TTD ID: D0AA0L
VARIDT ID: DR00589

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acetylcholine receptor (nAChR)	TTJSZTB	NOUNIPROTAC	Antagonist	[5]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[6]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Pancuronium (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Paromomycin	DM1AGXN	Major	Additive neuromuscular blocking effects by the combination of Pancuronium and Paromomycin.	Amoebiasis [1A36]	[7]
Levobetaxolol	DMSREPX	Moderate	Additive neuromuscular blocking effects by the combination of Pancuronium and Levobetaxolol.	Glaucoma [9C61]	[8]
Lincomycin	DMVTHER	Moderate	Additive neuromuscular blocking effects by the combination of Pancuronium and Lincomycin.	Gram-positive bacterial infection [1B74-1F40]	[9]
Penbutolol	DM4ES8F	Moderate	Additive neuromuscular blocking effects by the combination of Pancuronium and Penbutolol.	Hypertension [BA00-BA04]	[10]
Nebivolol	DM7F1PA	Moderate	Additive neuromuscular blocking effects by the combination of Pancuronium and Nebivolol.	Hypertension [BA00-BA04]	[10]
Vecuronium	DMP0UK2	Moderate	Additive neuromuscular blocking effects by the combination of Pancuronium and Vecuronium.	Tonus and reflex abnormality [MB47]	[11]
Plazomicin	DMKMBES	Major	Additive neuromuscular blocking effects by the combination of Pancuronium and Plazomicin.	Urinary tract infection [GC08]	[7]
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⏷ Show the Full List of 7 DDI Information of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4001).
2	BDDCS applied to over 900 drugs
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
5	Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52.
6	Affinities of bispyridinium non-oxime compounds to [(3)H]epibatidine binding sites of Torpedo californica nicotinic acetylcholine receptors depend on linker length. Chem Biol Interact. 2013 Dec 5;206(3):545-54. doi: 10.1016/j.cbi.2013.10.012. Epub 2013 Oct 21.
7	Burkett L, Bikhazi GB, Thomas KC Jr, Rosenthal DA, Wirta MG, Foldes FF "Mutual potentiation of the neuromuscular effects of antibiotics and relaxants." Anesth Analg 58 (1979): 107-15. [PMID: 571233]
8	Harrah MD, Way WL, Katzung BG "The interaction of d-tubocurarine with antiarrhythmic drugs." Anesthesiology 33 (1970): 406-10. [PMID: 5512329]
9	Alahdal O, Bevan DR "Clindamycin-induced neuromuscular blockade." Can J Anaesth 42 (1995): 614-7. [PMID: 7553999]
10	Chapple DJ, Clark JS, Hughes R "Interaction between atracurium and drugs used in anaesthesia." Br J Anaesth 55 Suppl 1 (1983): s17-22. [PMID: 6688011]
11	Pandit SK, Ferres CJ, Gibson FM, Mirakhur RK "Time course of action of combinations of vecuronium and pancuronium." Anaesthesia 41 (1986): 151-4. [PMID: 2869710]