Rabeximod
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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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Rheumatoid Arthritis 1
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
Property Value Source Water Solubility 0.0191 mg/mL ALOGPS logP 3.46 ALOGPS logP 3.94 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 15.34 Chemaxon pKa (Strongest Basic) 8.51 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 63.05 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 115.05 m3·mol-1 Chemaxon Polarizability 45.08 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0001900000-bb843899036b36d52692 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-053u-9040500000-a2d1fa8be1be9b92a810 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0229-7029700000-ae6628cf14e1bf089ceb Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-8093200000-4a639b67766ee52a8c06 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01ox-2091000000-d101923826430ec1fde6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-5090000000-fbf3485a499870bbfcf8 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 194.30406 predictedDeepCCS 1.0 (2019) [M+H]+ 196.66206 predictedDeepCCS 1.0 (2019) [M+Na]+ 203.57649 predictedDeepCCS 1.0 (2019)
Drug created at November 18, 2007 18:27 / Updated at February 21, 2021 18:51