NAV

Gisadenafil

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

Identification

Generic Name
Gisadenafil
DrugBank Accession Number
DB11902
Background

Gisadenafil has been investigated for the treatment of Prostatic Hyperplasia.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 519.62
Monoisotopic: 519.226388365
Chemical Formula
C23H33N7O5S
Synonyms
  • Gisadenafil
External IDs
  • UK-369,003
  • UK-369003
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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.
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 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
1,4-diazinane / Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Azole / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
S6G4R7DI1C
CAS number
334826-98-1
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

References

General References
Not Available
PubChem Compound
9892860
PubChem Substance
347828235
ChemSpider
8068530
BindingDB
50359770
ChEMBL
CHEMBL1928262
ZINC
ZINC000034016204

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOveractive Bladder Syndrome (OABS)1
2CompletedTreatmentProstatic Hyperplasia2
2CompletedTreatmentSexual impotency1
1CompletedBasic ScienceErectile Dysfunction / Overactive Bladder Syndrome (OABS) / Prostatic Hyperplasia1
1, 2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)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 Solubility0.54 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/MSsplash10-00di-0000390000-e0922750226979c6bbf5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0000290000-3694efcb92cbfb6f49bb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0000390000-d7d975e8abd1b2a01ed3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01b9-0000940000-fa48710fd8cf5e5c6ccd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xv-1300910000-e64bb6fe0d400738bec9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06sl-1000900000-06cc2050d23e9af50455
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-219.7304
predicted
DeepCCS 1.0 (2019)
[M+H]+222.12598
predicted
DeepCCS 1.0 (2019)
[M+Na]+228.62122
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:58 / Updated at February 21, 2021 18:53