Galidesivir

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

Identification

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Name
Galidesivir
Accession Number
DB11676
Type
Small Molecule
Groups
Investigational
Description

Galidesivir has been used in trials studying the treatment of Filovirus Infections and Ebola Virus Infection.

Structure
Thumb
Synonyms
Not Available
External IDs
BCX4430
Categories
UNII
OLF97F86A7
CAS number
249503-25-1
Weight
Average: 265.2685
Monoisotopic: 265.117489371
Chemical Formula
C11H15N5O3
InChI Key
AMFDITJFBUXZQN-KUBHLMPHSA-N
InChI
InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1
IUPAC Name
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-{4-imino-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-7-yl}pyrrolidine-3,4-diol
SMILES
[H][C@]1(CO)N[C@@]([H])(C2=CNC3=C2N=CNC3=N)[C@]([H])(O)[C@]1([H])O

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
10445549
PubChem Substance
347828044
ChemSpider
8620968
HET
UA2
Wikipedia
Galidesivir
PDB Entries
2i4t / 4i72

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentEbola Virus Infection / Filovirus Infections1
1Not Yet RecruitingTreatmentYellow Fever1
1RecruitingTreatmentMarburg Virus 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 Solubility1.19 mg/mLALOGPS
logP-1.8ALOGPS
logP-2.6ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)7.19ChemAxon
pKa (Strongest Basic)12.21ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area136.75 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity78.84 m3·mol-1ChemAxon
Polarizability26.25 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
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
Aralkylamines / Aminopyrimidines and derivatives / Substituted pyrroles / Imidolactams / Pyrrolidines / Heteroaromatic compounds / Secondary alcohols / 1,2-aminoalcohols / Dialkylamines / Azacyclic compounds
show 3 more
Substituents
Pyrrolopyrimidine / Aminopyrimidine / Aralkylamine / Pyrimidine / Substituted pyrrole / Imidolactam / Pyrrole / Pyrrolidine / Heteroaromatic compound / Secondary alcohol
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
dihydroxypyrrolidine, pyrrolopyrimidine (CHEBI:46134)

Drug created on October 20, 2016 14:39 / Updated on June 04, 2019 07:25