Rabeximod

Identification

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Name
Rabeximod
Accession Number
DB05772
Type
Small Molecule
Groups
Investigational
Description

Rabeximod is an orally administered compound for treatment of moderate or severe active rheumatoid arthritis that is currently undergoing phase II clinical testing in eight European countries.

Structure
Thumb
Synonyms
Not Available
External IDs
Rob 803 / ROB-803
Categories
Not Available
UNII
J4D3K58W3Z
CAS number
Not Available
Weight
Average: 409.92
Monoisotopic: 409.1669381
Chemical Formula
C22H24ClN5O
InChI Key
PDNNUMNEXITLCZ-UHFFFAOYSA-N
InChI
InChI=1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)
IUPAC Name
2-{9-chloro-2,3-dimethyl-6H-indolo[2,3-b]quinoxalin-6-yl}-N-[2-(dimethylamino)ethyl]acetamide
SMILES
CN(C)CCNC(=O)CN1C2=C(C=C(Cl)C=C2)C2=C1N=C1C=C(C)C(C)=CC1=N2

Pharmacology

Indication

Investigated for use/treatment in rheumatoid arthritis.

Pharmacodynamics

Rob 803 is an immunomodulator.

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
56841552
PubChem Substance
347827742
ChemSpider
25069718

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
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 Solubility0.0191 mg/mLALOGPS
logP3.46ALOGPS
logP3.94ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)15.34ChemAxon
pKa (Strongest Basic)8.51ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.05 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity115.05 m3·mol-1ChemAxon
Polarizability45.17 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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 quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinoxalines
Alternative Parents
N-alkylindoles / Indoles / Pyrrolopyrazines / Aryl chlorides / Pyrazines / Benzenoids / Substituted pyrroles / Heteroaromatic compounds / Trialkylamines / Amino acids and derivatives
show 6 more
Substituents
N-alkylindole / Quinoxaline / Indole / Indole or derivatives / Pyrrolopyrazine / Aryl chloride / Aryl halide / Pyrazine / Benzenoid / Substituted pyrrole
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on November 18, 2007 11:27 / Updated on June 04, 2019 06:19