Rabeximod

Identification

Generic Name
Rabeximod
DrugBank Accession Number
DB05772
Background

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.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 409.92
Monoisotopic: 409.1669381
Chemical Formula
C22H24ClN5O
Synonyms
  • Rabeximod
External IDs
  • Rob 803
  • ROB-803

Pharmacology

Indication

Investigated for use/treatment in rheumatoid arthritis.

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
J4D3K58W3Z
CAS number
872178-65-9
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=CC=C(Cl)C=C2C2=C1N=C1C=C(C)C(C)=CC1=N2

References

General References
Not Available
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
Polarizability45.08 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/MSsplash10-03di-0001900000-bb843899036b36d52692
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-053u-9040500000-a2d1fa8be1be9b92a810
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0229-7029700000-ae6628cf14e1bf089ceb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-8093200000-4a639b67766ee52a8c06
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ox-2091000000-d101923826430ec1fde6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-5090000000-fbf3485a499870bbfcf8
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]-194.30406
predicted
DeepCCS 1.0 (2019)
[M+H]+196.66206
predicted
DeepCCS 1.0 (2019)
[M+Na]+203.57649
predicted
DeepCCS 1.0 (2019)

Drug created at November 18, 2007 18:27 / Updated at February 21, 2021 18:51