Gisadenafil

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

Identification

Name
Gisadenafil
Accession Number
DB11902
Type
Small Molecule
Groups
Investigational
Description

Gisadenafil has been investigated for the treatment of Prostatic Hyperplasia.

Structure
Thumb
Synonyms
Not Available
External IDs
UK-369,003 / UK-369003
Categories
UNII
S6G4R7DI1C
CAS number
334826-98-1
Weight
Average: 519.62
Monoisotopic: 519.226388365
Chemical Formula
C23H33N7O5S
InChI Key
YPFZMBHKIVDSNR-UHFFFAOYSA-N
InChI
InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)
IUPAC Name
5-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]pyridin-3-yl}-3-ethyl-2-(2-methoxyethyl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
SMILES
CCOC1=NC=C(C=C1C1=NC2=C(CC)N(CCOC)N=C2C(=O)N1)S(=O)(=O)N1CCN(CC)CC1

Pharmacology

Indication
Not Available
Structured Indications
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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9892860
PubChem Substance
347828235
ChemSpider
8068530
BindingDB
50359770
ChEMBL
CHEMBL1928262

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentPulmonary Disease, Chronic Obstructive1
2CompletedTreatmentErectile Dysfunction (ED)1
2CompletedTreatmentProstatic Hyperplasia2
2CompletedTreatmentUrinary Bladder, Overactive1

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 Solubility0.54 mg/mLALOGPS
logP1.39ALOGPS
logP0.86ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)8.02ChemAxon
pKa (Strongest Basic)6.11ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area131.25 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity149.43 m3·mol-1ChemAxon
Polarizability56.3 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 pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Pyridinylpyrimidines
Alternative Parents
Pyridinesulfonamides / Pyrazolopyrimidines / Alkyl aryl ethers / N-alkylpiperazines / Pyrimidones / Organosulfonamides / Pyrazoles / Vinylogous amides / Heteroaromatic compounds / Sulfonyls
show 6 more
Substituents
Pyridinylpyrimidine / Pyridine-3-sulfonamide / Pyrazolopyrimidine / Alkyl aryl ether / Pyrimidone / N-alkylpiperazine / 1,4-diazinane / Piperazine / Pyridine / Organosulfonic acid amide
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:58 / Updated on December 01, 2017 16:25