Identification

Generic Name
Gantacurium
DrugBank Accession Number
DB05710
Background

Gantacurium chloride is a new, investigational, non-depolarizing ultra-short acting neuromuscular blocker. It is being developed by Avera Pharmaceuticals.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 993.58
Monoisotopic: 992.4426355
Chemical Formula
C53H69ClN2O14
Synonyms
Not Available
External IDs
  • AV-4430A
  • GW-280430
  • GW-280430A
  • GW280430A

Pharmacology

Indication

Investigated for use/treatment in anesthesia (unspecified).

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Gantacurium chloride administered to anesthetized and ventilated healthy volunteers, caused dose dependent transient decrease in arterial blood pressure, mild histamine release at higher doses and no consistent changes in pulmonary compliance.

Mechanism of action
TargetActionsOrganism
ANeuronal acetylcholine receptor subunit alpha-3
antagonist
Humans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

The pharmacokinetic parameters are consistent with in situ rapid inactivation by plasma cysteine.

Route of elimination

Not Available

Half-life

3.09±0.21 minutes

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when Gantacurium is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Gantacurium.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Gantacurium.
AclidiniumGantacurium may increase the central nervous system depressant (CNS depressant) activities of Aclidinium.
AgomelatineThe risk or severity of adverse effects can be increased when Gantacurium is combined with Agomelatine.
AlfentanilThe risk or severity of adverse effects can be increased when Gantacurium is combined with Alfentanil.
AlimemazineThe risk or severity of adverse effects can be increased when Alimemazine is combined with Gantacurium.
AlloinThe therapeutic efficacy of Alloin can be decreased when used in combination with Gantacurium.
AlmotriptanThe risk or severity of adverse effects can be increased when Almotriptan is combined with Gantacurium.
AlosetronThe risk or severity of adverse effects can be increased when Alosetron is combined with Gantacurium.
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Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Gantacurium chlorideLEY8QK99UR213998-46-0SDIFKXLSGXCGEN-WJUBNSBASA-L

Categories

Drug Categories
Classification
Not classified
Affected organisms
  • Humans and other mammals

Chemical Identifiers

UNII
N9VK9ZO25E
CAS number
758669-50-0
InChI Key
ZQLDXCSTJFLRPY-RWBXLJKRSA-N
InChI
InChI=1S/C53H69ClN2O14/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-22-70-53(58)39(54)32-49(57)69-21-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10/h24-32,40,50H,13-23H2,1-12H3/q+2/b39-32-/t40-,50+,55-,56+/m1/s1
IUPAC Name
(1S,2R)-2-(3-{[(2Z)-3-chloro-4-{3-[(1R,2S)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propoxy}-4-oxobut-2-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium
SMILES
COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@@+]2(C)CCCOC(=O)C(\Cl)=C\C(=O)OCCC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@@H]2C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC

References

General References
  1. Heerdt PM, Kang R, The' A, Hashim M, Mook RJ Jr, Savarese JJ: Cardiopulmonary effects of the novel neuromuscular blocking drug GW280430A (AV430A) in dogs. Anesthesiology. 2004 Apr;100(4):846-51. [Article]
  2. Savarese JJ, Belmont MR, Hashim MA, Mook RA Jr, Boros EE, Samano V, Patel SS, Feldman PL, Schultz JA, McNulty M, Spitzer T, Cohn DL, Morgan P, Wastila WB: Preclinical pharmacology of GW280430A (AV430A) in the rhesus monkey and in the cat: a comparison with mivacurium. Anesthesiology. 2004 Apr;100(4):835-45. [Article]
PubChem Compound
10772467
PubChem Substance
347827738
ChemSpider
8278016
ChEMBL
CHEMBL1182997
ZINC
ZINC000253695755
Wikipedia
Gantacurium_chloride

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentHealthy Subjects (HS)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.11e-05 mg/mLALOGPS
logP3.55ALOGPS
logP-1.3ChemAxon
logS-7.5ALOGPS
pKa (Strongest Acidic)17.91ChemAxon
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area144.9 Å2ChemAxon
Rotatable Bond Count25ChemAxon
Refractivity290.33 m3·mol-1ChemAxon
Polarizability107.61 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Antagonist
General Function
Ligand-gated ion channel activity
Specific Function
After binding acetylcholine, the AChR responds by an extensive change in conformation that affects all subunits and leads to opening of an ion-conducting channel across the plasma membrane.
Gene Name
CHRNA3
Uniprot ID
P32297
Uniprot Name
Neuronal acetylcholine receptor subunit alpha-3
Molecular Weight
57479.54 Da
References
  1. Khirwadkar R, Hunter JM: Neuromuscular physiology and pharmacology: an update Continuing Education in Anaesthesia Critical Care & Pain. 2012 May 24;12(5):237–244. [Article]

Drug created at November 18, 2007 18:27 / Updated at June 12, 2020 16:52