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

Identification

Name
Mirodenafil
Accession Number
DB11792
Type
Small Molecule
Groups
Investigational
Description

Mirodenafil has been used in trials studying the treatment and supportive care of Kidney Diseases, Urologic Diseases, Renal Insufficiency, Erectile Dysfunction, and Male Erectile Dysfunction.

Structure
Thumb
Synonyms
Not Available
External IDs
SK-3530 / SK3530
Categories
UNII
504G362H0H
CAS number
862189-95-5
Weight
Average: 531.67
Monoisotopic: 531.251540485
Chemical Formula
C26H37N5O5S
InChI Key
MIJFNYMSCFYZNY-UHFFFAOYSA-N
InChI
InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)
IUPAC Name
5-ethyl-2-(5-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-2-propoxyphenyl)-7-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILES
CCCOC1=CC=C(C=C1C1=NC2=C(N(CC)C=C2CCC)C(=O)N1)S(=O)(=O)N1CCN(CCO)CC1

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
AcebutololMirodenafil may increase the antihypertensive activities of Acebutolol.
AcepromazineMirodenafil may increase the hypotensive activities of Acepromazine.
AlfuzosinThe risk or severity of hypotension, dyspepsia, and headache can be increased when Mirodenafil is combined with Alfuzosin.
AliskirenMirodenafil may increase the antihypertensive activities of Aliskiren.
AlprenololMirodenafil may increase the antihypertensive activities of Alprenolol.
AlprostadilThe risk or severity of adverse effects can be increased when Mirodenafil is combined with Alprostadil.
AmbrisentanMirodenafil may increase the antihypertensive activities of Ambrisentan.
AmitriptylineThe risk or severity of hypotension, dyspepsia, and headache can be increased when Mirodenafil is combined with Amitriptyline.
AmlodipineMirodenafil may increase the antihypertensive activities of Amlodipine.
AmoxapineMirodenafil may increase the hypotensive activities of Amoxapine.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
12001014
PubChem Substance
347828141
ChemSpider
10173481
Wikipedia
Mirodenafil

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedSupportive CareImpaired Renal Function / Kidney Diseases / Urologic Diseases1
1CompletedTreatmentDrug Interaction Potentiation2
1CompletedTreatmentErectile Dysfunction (ED)3
2TerminatedTreatmentMale Erectile Dysfunction1
3CompletedTreatmentErectile Dysfunction (ED)2
Not AvailableTerminatedNot AvailableErectile Dysfunction (ED)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
PropertyValueSource
Water Solubility0.181 mg/mLALOGPS
logP2.85ALOGPS
logP2.44ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)7.69ChemAxon
pKa (Strongest Basic)5.83ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area116.47 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity146.61 m3·mol-1ChemAxon
Polarizability57.75 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
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 benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonamides
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds / Pyrrolopyrimidines / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / N-alkylpiperazines / Pyrimidones / Organosulfonamides / Substituted pyrroles / Sulfonyls
show 9 more
Substituents
Benzenesulfonamide / Benzenesulfonyl group / Pyrrolopyrimidine / Phenoxy compound / Phenol ether / Pyrimidone / Alkyl aryl ether / N-alkylpiperazine / 1,4-diazinane / Piperazine
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein group
Organism
Human
Pharmacological action
Unknown
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...

Components:

Drug created on October 20, 2016 14:48 / Updated on August 02, 2018 06:29