Alminoprofen

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

Identification

Name
Alminoprofen
Accession Number
DB13314
Type
Small Molecule
Groups
Experimental
Description

Alminoprofen is a non-steroidal anti-inflammatory drug.

Structure
Thumb
Synonyms
  • 2-{4-[(2-methylprop-2-en-1-yl)amino]phenyl}propionic acid
  • alminoprofene
  • alminoprofeno
  • alminoprofenum
  • p-((2-Methylallyl)amino)hydratropic acid
  • α-methyl-4-[(2-methyl-2-propenyl)amino]benzeneacetic acid
External IDs
EB 382 / EB-382
International/Other Brands
Minalfen
Categories
UNII
0255AHR9GJ
CAS number
39718-89-3
Weight
Average: 219.284
Monoisotopic: 219.125928791
Chemical Formula
C13H17NO2
InChI Key
FPHLBGOJWPEVME-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)
IUPAC Name
2-{4-[(2-methylprop-2-en-1-yl)amino]phenyl}propanoic acid
SMILES
CC(C(O)=O)C1=CC=C(NCC(C)=C)C=C1

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
DrugInteraction
(R)-warfarinThe risk or severity of bleeding and hemorrhage can be increased when Alminoprofen is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding and hemorrhage can be increased when Alminoprofen is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Alminoprofen is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid.
4-hydroxycoumarinThe risk or severity of bleeding and hemorrhage can be increased when Alminoprofen is combined with 4-hydroxycoumarin.
AbacavirAlminoprofen may decrease the excretion rate of Abacavir which could result in a higher serum level.
AbciximabThe risk or severity of bleeding and hemorrhage can be increased when Alminoprofen is combined with Abciximab.
AcarboseAlminoprofen may decrease the excretion rate of Acarbose which could result in a higher serum level.
AcebutololAlminoprofen may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Alminoprofen.
AcemetacinThe risk or severity of adverse effects can be increased when Alminoprofen is combined with Acemetacin.
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D01513
ChemSpider
2013
ChEBI
31190
ChEMBL
CHEMBL1765293
Wikipedia
Alminoprofen
ATC Codes
M01AE16 — Alminoprofen

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 Solubility0.676 mg/mLALOGPS
logP0.47ALOGPS
logP1.86ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)4.15ChemAxon
pKa (Strongest Basic)4.77ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area49.33 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity65.58 m3·mol-1ChemAxon
Polarizability24.78 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Sub Class
Not Available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Phenylalkylamines / Aniline and substituted anilines / Secondary alkylarylamines / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
2-phenylpropanoic-acid / Phenylalkylamine / Aniline or substituted anilines / Secondary aliphatic/aromatic amine / Monocyclic benzene moiety / Benzenoid / Amino acid or derivatives / Amino acid / Carboxylic acid derivative / Carboxylic acid
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
substituted aniline, monocarboxylic acid, secondary amino compound, amino acid (CHEBI:31190)

Drug created on June 23, 2017 14:39 / Updated on November 02, 2018 07:37