LX-2931

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
LX-2931
Accession Number
DB06297
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
LX 2931 / LX-3305 / LX2931 / LX3305
Categories
UNII
C5AGI979T7
CAS number
948840-25-3
Weight
Average: 245.235
Monoisotopic: 245.101170595
Chemical Formula
C9H15N3O5
InChI Key
AMXVYJYMZLDINS-RSWLNLDNSA-N
InChI
InChI=1S/C9H15N3O5/c1-4(12-17)9-10-2-5(11-9)7(15)8(16)6(14)3-13/h2,6-8,13-17H,3H2,1H3,(H,10,11)/b12-4+/t6-,7-,8-/m1/s1
IUPAC Name
(1R,2S,3R)-1-{2-[(1E)-1-(hydroxyimino)ethyl]-1H-imidazol-5-yl}butane-1,2,3,4-tetrol
SMILES
C\C(=N/O)C1=NC=C(N1)[C@@H](O)[C@H](O)[C@H](O)CO

Pharmacology

Indication

Investigated for use/treatment in rheumatoid arthritis, inflammatory disorders (unspecified), and autoimmune diseases.

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
ChemSpider
26628206
BindingDB
50018270
ChEMBL
CHEMBL1852164

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentRheumatoid Arthritis1
2CompletedTreatmentRheumatoid Arthritis1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility14.8 mg/mLALOGPS
logP-1.7ALOGPS
logP-2.9ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)9.73ChemAxon
pKa (Strongest Basic)4.65ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area142.19 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity57.3 m3·mol-1ChemAxon
Polarizability23.96 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on March 19, 2008 10:23 / Updated on June 04, 2019 06:23