NAV

Iferanserin

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

Identification

Generic Name
Iferanserin
DrugBank Accession Number
DB11686
Background

Iferanserin has been investigated for the treatment of Hemorrhoids.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 348.49
Monoisotopic: 348.22016353
Chemical Formula
C23H28N2O
Synonyms
  • Iferanserin
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Iferanserin is combined with 1,2-Benzodiazepine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Iferanserin is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Iferanserin.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Iferanserin.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Iferanserin.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Sub Class
Cinnamic acid amides
Direct Parent
Cinnamic acid amides
Alternative Parents
Anilides / Alkaloids and derivatives / Styrenes / N-arylamides / Aralkylamines / Piperidines / Trialkylamines / Secondary carboxylic acid amides / Amino acids and derivatives / Azacyclic compounds
show 4 more
Substituents
Alkaloid or derivatives / Amine / Amino acid or derivatives / Anilide / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
NWR3BEB8PA
CAS number
58754-46-4
InChI Key
UXIPFQUBOVWAQW-UEBLJOKOSA-N
InChI
InChI=1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1
IUPAC Name
(2E)-N-(2-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}phenyl)-3-phenylprop-2-enamide
SMILES
CN1CCCC[C@H]1CCC1=CC=CC=C1NC(=O)\C=C\C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
6445539
PubChem Substance
347828052
ChemSpider
4949235
ChEMBL
CHEMBL3989686
ZINC
ZINC000005599842
Wikipedia
Iferanserin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentInternal Haemorrhoids1
2CompletedTreatmentHaemorrhoids1

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 Solubility0.000939 mg/mLALOGPS
logP4.63ALOGPS
logP5.16Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)14.66Chemaxon
pKa (Strongest Basic)9.49Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area32.34 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity111.05 m3·mol-1Chemaxon
Polarizability41.32 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-0002-1296000000-4011c3d2d25dfd31a54e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-003r-0093000000-f9669a6412c7150f7ece
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fr2-2943000000-b10409ed415a463ad068
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014l-5693000000-885dac90a024357b5e6e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udj-4911000000-c881690ef81c40678f8d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0005-9613000000-3963d25810655472f1cc
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-185.07121
predicted
DeepCCS 1.0 (2019)
[M+H]+187.42921
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.25578
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:39 / Updated at February 21, 2021 18:53