NAV

Mizoribine

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

Identification

Generic Name
Mizoribine
DrugBank Accession Number
DB12617
Background

Mizoribine has been investigated for the treatment of Rheumatoid Arthritis.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 259.216
Monoisotopic: 259.080435163
Chemical Formula
C9H13N3O6
Synonyms
  • BREDININ
  • Mizoribine
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Mizoribine.
AcetophenazineThe risk or severity of QTc prolongation can be increased when Mizoribine is combined with Acetophenazine.
AdalimumabThe risk or severity of adverse effects can be increased when Adalimumab is combined with Mizoribine.
Adenovirus type 7 vaccine liveThe risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Mizoribine.
AldesleukinThe risk or severity of adverse effects can be increased when Aldesleukin is combined with Mizoribine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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 / 2-heteroaryl carboxamide / Alcohol / Aromatic heteromonocyclic compound / Azacycle / Azole / Carboxamide group / Carboxylic acid derivative / Glycosyl compound / Heteroaromatic compound
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4JR41A10VP
CAS number
50924-49-7
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

References

General References
Not Available
Human Metabolome Database
HMDB0041934
PubChem Compound
104762
PubChem Substance
347828830
ChemSpider
94571
BindingDB
68669
ChEBI
31858
ChEMBL
CHEMBL245019
ZINC
ZINC000003812887
PDBe Ligand
MZR
Wikipedia
Mizoribine
PDB Entries
3b1n

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4Not Yet RecruitingPreventionBK Virus Infection / Renal Transplant Recipient Patients1
4RecruitingTreatmentKidney Transplant Immunosuppression1
3CompletedTreatmentLupus Nephritis1
3CompletedTreatmentNephrotic Syndrome1
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)8.68Chemaxon
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
Polarizability23.53 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-MSsplash10-05bg-9430000000-225d0d4db35f1b42f132
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0940000000-f7e010c2e1794223ceff
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9320000000-4bac4b4e7dda477b2fa2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-4900000000-57968433265879774b65
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-053r-8900000000-13de1c9f2f71e38081fd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dl-8910000000-59eb6cabcda4a32b5025
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-6fa3496833c27c37ba2a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-167.0546353
predicted
DarkChem Lite v0.1.0
[M-H]-166.0028353
predicted
DarkChem Lite v0.1.0
[M-H]-151.37674
predicted
DeepCCS 1.0 (2019)
[M+H]+167.4815353
predicted
DarkChem Lite v0.1.0
[M+H]+166.5524353
predicted
DarkChem Lite v0.1.0
[M+H]+153.7723
predicted
DeepCCS 1.0 (2019)
[M+Na]+166.9680353
predicted
DarkChem Lite v0.1.0
[M+Na]+160.65686
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:14 / Updated at February 21, 2021 18:53