Ulodesine

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Ulodesine
Accession Number
DB12353  (DB05568)
Type
Small Molecule
Groups
Investigational
Description

Ulodesine has been used in trials studying the treatment of Gout, Arthritis, Hyperuricemia, and Joint Disease.

Structure
Thumb
Synonyms
Not Available
External IDs
BCX-4208 / BCX4208
Product Ingredients
IngredientUNIICASInChI Key
Ulodesine HydrochlorideO0JCK72YU4615580-53-5CMKFYLGNPVHLJV-RJUBDTSPSA-N
Categories
UNII
JNG8L9460Y
CAS number
548486-59-5
Weight
Average: 264.285
Monoisotopic: 264.122240391
Chemical Formula
C12H16N4O3
InChI Key
AFNHHLILYQEHKK-BDAKNGLRSA-N
InChI
InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1
IUPAC Name
7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILES
OC[C@H]1CN(CC2=CNC3=C2N=CNC3=O)C[C@@H]1O

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
447268
PubChem Substance
347828607
ChemSpider
394413
BindingDB
22109
ChEMBL
CHEMBL269864

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAcute Gouty Arthritis2
2CompletedTreatmentAcute Gouty Arthritis / Arthritis / Hyperuricemia / Impaired Renal Function / Joint Disease1
2CompletedTreatmentAcute Gouty Arthritis / Arthritis / Hyperuricemia / Joint Disease1

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 Solubility1.72 mg/mLALOGPS
logP-1.1ALOGPS
logP-1.8ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)10.03ChemAxon
pKa (Strongest Basic)7.47ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area100.95 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity70.92 m3·mol-1ChemAxon
Polarizability26.9 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
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 pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Sub Class
Not Available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Pyrimidones / Aralkylamines / Substituted pyrroles / N-alkylpyrrolidines / Vinylogous amides / Heteroaromatic compounds / 1,3-aminoalcohols / Trialkylamines / Secondary alcohols / 1,2-aminoalcohols
show 5 more
Substituents
Pyrrolopyrimidine / Pyrimidone / Aralkylamine / Pyrimidine / N-alkylpyrrolidine / Substituted pyrrole / 1,3-aminoalcohol / Pyrrole / Pyrrolidine / Heteroaromatic compound
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:03 / Updated on June 04, 2019 07:36