This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Emetine
- DrugBank Accession Number
- DB13393
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Emetine (DB13393)
- Weight
- Average: 480.649
Monoisotopic: 480.298807776 - Chemical Formula
- C29H40N2O4
- Synonyms
- Not Available
- External IDs
- NSC-33669
Pharmacology
- Indication
Not Available
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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
- Adverse Effects
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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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcipimox The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Acipimox is combined with Emetine. Alendronic acid The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Alendronic acid is combined with Emetine. Amiodarone The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Amiodarone is combined with Emetine. Amphotericin B The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Amphotericin B is combined with Emetine. Atorvastatin The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Atorvastatin is combined with Emetine. Baclofen The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Baclofen is combined with Emetine. Betamethasone The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Betamethasone is combined with Emetine. Bezafibrate The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Bezafibrate is combined with Emetine. Bumetanide The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Bumetanide is combined with Emetine. Captopril The risk or severity of myopathy, rhabdomyolysis, and myoglobinuria can be increased when Captopril is combined with Emetine. 
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- Not Available
Products
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Categories
- ATC Codes
- P01AX02 — Emetine
- P01AX — Other agents against amoebiasis and other protozoal diseases
- P01A — AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
- P01 — ANTIPROTOZOALS
- P — ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- Drug Categories
- Agents Causing Muscle Toxicity
- Alkaloids
- Amebicides
- Anti-Infective Agents
- Antinematodal Agents
- Antiparasitic Agents
- Antiparasitic Products, Insecticides and Repellents
- Antiprotozoals
- Autonomic Agents
- Central Nervous System Agents
- Emetics
- Enzyme Inhibitors
- Gastrointestinal Agents
- Heterocyclic Compounds, Fused-Ring
- Isoquinolines
- Peripheral Nervous System Agents
- Protein Synthesis Inhibitors
- Chemical TaxonomyProvided by Classyfire
- 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
- Alkyl aryl ether / Amine / Anisole / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Emetine alkaloid / Ether / Hydrocarbon derivative show 13 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- isoquinoline alkaloid, pyridoisoquinoline (CHEBI:4781) / Alkaloids, Isoquinoline alkaloids (C09421)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- X8D5EPO80M
- CAS number
- 483-18-1
- 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
References
- General References
- Not Available
- External Links
- KEGG Compound
- C09421
- ChemSpider
- 9802
- BindingDB
- 50216297
- 3820
- ChEBI
- 4781
- ChEMBL
- CHEMBL50588
- ZINC
- ZINC000003830747
- Wikipedia
- Emetine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Not Yet Recruiting Treatment Coronavirus Disease 2019 (COVID‑19) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, solution - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00282 mg/mL ALOGPS logP 4.18 ALOGPS logP 4.49 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 9.11 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 52.19 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 139.75 m3·mol-1 Chemaxon Polarizability 54.92 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at June 23, 2017 20:41 / Updated at June 12, 2020 16:53