Emetine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Emetine
Accession Number
DB13393
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
NSC-33669
Categories
UNII
X8D5EPO80M
CAS number
483-18-1
Weight
Average: 480.649
Monoisotopic: 480.298807776
Chemical Formula
C29H40N2O4
InChI Key
AUVVAXYIELKVAI-CKBKHPSWSA-N
InChI
InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
IUPAC Name
(1R)-1-{[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl]methyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILES
[H][C@]1(C[C@@]2([H])C[C@]3([H])N(CCC4=CC(OC)=C(OC)C=C34)C[C@]2([H])CC)NCCC2=CC(OC)=C(OC)C=C12

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
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
AcipimoxThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Acipimox is combined with Emetine.
Alendronic acidThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Alendronic acid is combined with Emetine.
Aluminium clofibrateThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Emetine is combined with Aluminium clofibrate.
AmiodaroneThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Amiodarone is combined with Emetine.
Amphotericin BThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Amphotericin B is combined with Emetine.
AtorvastatinThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Atorvastatin is combined with Emetine.
BaclofenThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Baclofen is combined with Emetine.
BetamethasoneThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Betamethasone is combined with Emetine.
BezafibrateThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Bezafibrate is combined with Emetine.
BumetanideThe risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Bumetanide is combined with Emetine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C09421
ChemSpider
9802
BindingDB
50216297
ChEBI
4781
ChEMBL
CHEMBL50588
Wikipedia
Emetine
ATC Codes
P01AX02 — EmetineP01AX52 — Emetine, combinations

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00282 mg/mLALOGPS
logP4.18ALOGPS
logP4.49ChemAxon
logS-5.2ALOGPS
pKa (Strongest Basic)9.11ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area52.19 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity139.75 m3·mol-1ChemAxon
Polarizability54.92 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as emetine alkaloids. These are alkaloids with a structure characterized by the presence of both an isoquinoline and a benzoquinolizidine nuclei.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Emetine alkaloids
Sub Class
Not Available
Direct Parent
Emetine alkaloids
Alternative Parents
Tetrahydroisoquinolines / Quinolizidines / Anisoles / Aralkylamines / Alkyl aryl ethers / Piperidines / Trialkylamines / Dialkylamines / Azacyclic compounds / Organopnictogen compounds
show 1 more
Substituents
Emetine alkaloid / Quinolizidine / Tetrahydroisoquinoline / Anisole / Alkyl aryl ether / Aralkylamine / Piperidine / Benzenoid / Tertiary amine / Tertiary aliphatic amine
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
isoquinoline alkaloid, pyridoisoquinoline (CHEBI:4781) / Alkaloids, Isoquinoline alkaloids (C09421)

Drug created on June 23, 2017 14:41 / Updated on September 02, 2019 19:58