Mizoribine

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

Identification

Name
Mizoribine
Accession Number
DB12617
Type
Small Molecule
Groups
Investigational
Description

Mizoribine has been investigated for the treatment of Rheumatoid Arthritis.

Structure
Thumb
Synonyms
  • BREDININ
Categories
UNII
4JR41A10VP
CAS number
50924-49-7
Weight
Average: 259.216
Monoisotopic: 259.080435163
Chemical Formula
C9H13N3O6
InChI Key
HZQDCMWJEBCWBR-UUOKFMHZSA-N
InChI
InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
IUPAC Name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-1H-imidazole-4-carboxamide
SMILES
NC(=O)C1=C(O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[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
DrugInteraction
(4R)-limoneneThe risk or severity of adverse effects can be increased when (4R)-limonene is combined with Mizoribine.
16-BromoepiandrosteroneThe risk or severity of adverse effects can be increased when Mizoribine is combined with 16-Bromoepiandrosterone.
19-norandrostenedioneThe risk or severity of adverse effects can be increased when Mizoribine is combined with 19-norandrostenedione.
2-MethoxyethanolThe risk or severity of adverse effects can be increased when 2-Methoxyethanol is combined with Mizoribine.
5-androstenedioneThe risk or severity of adverse effects can be increased when Mizoribine is combined with 5-androstenedione.
9-(N-methyl-L-isoleucine)-cyclosporin AThe risk or severity of adverse effects can be increased when Mizoribine is combined with 9-(N-methyl-L-isoleucine)-cyclosporin A.
AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Mizoribine.
AbetimusThe risk or severity of adverse effects can be increased when Abetimus is combined with Mizoribine.
AceclofenacThe risk or severity of adverse effects can be increased when Mizoribine is combined with Aceclofenac.
AcemetacinThe risk or severity of adverse effects can be increased when Mizoribine is combined with Acemetacin.
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0041934
PubChem Compound
104762
PubChem Substance
347828830
ChemSpider
94571
BindingDB
68669
ChEBI
31858
ChEMBL
CHEMBL245019
HET
MZR
Wikipedia
Mizoribine
PDB Entries
3b1n

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentRheumatoid Arthritis1
3Active Not RecruitingTreatmentGlomerulonephritis minimal lesion1
3Active Not RecruitingTreatmentNephritis, Lupus1
3CompletedTreatmentRheumatoid Arthritis1

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 Solubility36.1 mg/mLALOGPS
logP-2.3ALOGPS
logP-2ChemAxon
logS-0.86ALOGPS
pKa (Strongest Acidic)8.19ChemAxon
pKa (Strongest Basic)2.77ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area151.06 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity55.55 m3·mol-1ChemAxon
Polarizability23.58 Å3ChemAxon
Number of Rings2ChemAxon
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 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Imidazole ribonucleosides and ribonucleotides
Sub Class
1-ribosyl-imidazolecarboxamides
Direct Parent
1-ribosyl-imidazolecarboxamides
Alternative Parents
Glycosylamines / Pentoses / 2-heteroaryl carboxamides / Carbonylimidazoles / N-substituted imidazoles / Vinylogous amides / Vinylogous acids / Tetrahydrofurans / Heteroaromatic compounds / Secondary alcohols
show 8 more
Substituents
1-ribosyl-imidazolecarboxamide / Glycosyl compound / N-glycosyl compound / Pentose monosaccharide / 2-heteroaryl carboxamide / Imidazole-4-carbonyl group / N-substituted imidazole / Monosaccharide / Azole / Tetrahydrofuran
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:14 / Updated on October 01, 2018 15:17