Etripamil
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Etripamil
- DrugBank Accession Number
- DB12605
- Background
Etripamil has been used in trials studying the treatment of Paroxysmal Supraventricular Tachycardia (PSVT).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 452.595
Monoisotopic: 452.267507647 - Chemical Formula
- C27H36N2O4
- Synonyms
- Etripamil
Pharmacology
- Indication
Not Available
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- 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
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenylbutylamines
- Direct Parent
- Phenylbutylamines
- Alternative Parents
- Dimethoxybenzenes / Benzoic acid esters / Phenylpropanes / Phenethylamines / Phenoxy compounds / Benzoyl derivatives / Anisoles / Aralkylamines / Alkyl aryl ethers / Methyl esters show 5 more
- Substituents
- Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aralkylamine / Aromatic homomonocyclic compound / Benzoate ester / Benzoic acid or derivatives / Benzoyl / Carbonitrile show 22 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- S82A18Y42P
- CAS number
- 1593673-23-4
- InChI Key
- VAZNEHLGJGSQEL-MHZLTWQESA-N
- InChI
- InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1
- IUPAC Name
- methyl 3-(2-{[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-4-(propan-2-yl)butyl](methyl)amino}ethyl)benzoate
- SMILES
- COC(=O)C1=CC(CCN(C)CCC[C@](C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 91824132
- PubChem Substance
- 347828821
- ChemSpider
- 44208826
- ChEMBL
- CHEMBL3707312
- ZINC
- ZINC000142261274
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Coronavirus Disease 2019 (COVID‑19) / Paroxysmal Supraventricular Tachycardia (PSVT) 1 3 Completed Treatment Paroxysmal Supraventricular Tachycardia (PSVT) 1 3 Enrolling by Invitation Treatment Paroxysmal Supraventricular Tachycardia (PSVT) 1 3 Recruiting Treatment Paroxysmal Supraventricular Tachycardia (PSVT) / Supraventricular Tachycardia (SVT) 1 3 Terminated Treatment Paroxysmal Supraventricular Tachycardia (PSVT) 1
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
Property Value Source Water Solubility 0.00305 mg/mL ALOGPS logP 4.56 ALOGPS logP 5.36 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 9.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 71.79 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 131.75 m3·mol-1 Chemaxon Polarizability 51.46 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 splash10-0fk9-0012900000-6b2f60dcd9fe68f18f2c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0gb9-0222900000-3c2cab33f6388c6b557c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00ko-0139600000-fa95ce18e0572d5201e4 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001c-9786600000-2a23e24b8be7103e9707 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0ldr-0747900000-746d73f356f03a201d0a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-1960200000-15b9557beddba9978f91 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.52678 predictedDeepCCS 1.0 (2019) [M+H]+ 207.88477 predictedDeepCCS 1.0 (2019) [M+Na]+ 213.97792 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:10 / Updated at February 21, 2021 18:53