rabeximod   Click here for help

GtoPdb Ligand ID: 9856

Synonyms: Rob-803 | Rob803
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Rabeximod is an orally active immunomodulator. It has potent anti-rheumatic effects in animal models and is being evaluated as a potential drug for rheumatoid arthritis patients. The structure was originally claimed in patent WO2005123741A1 (Compound E) for anti-inflammatory potential [1], and later for antiviral potential in patent WO2014140321A1 (example 2). The molecular mechanism of action of this compound vis its anti-inflammatory activity remains unclear.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 63.05
Molecular weight 409.17
XLogP 4.11
No. Lipinski's rules broken 0
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Canonical SMILES CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C
Isomeric SMILES CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C
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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8866 rabeximod
Synonyms Click here for help
Rob-803 | Rob803
Database Links Click here for help
CAS Registry No. 872178-65-9 (source: WHO INN record)
DrugBank Ligand DB05772
GtoPdb PubChem SID 363894150
PubChem CID 56841552
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UniChem Compound Search for chemical match using the InChIKey PDNNUMNEXITLCZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PDNNUMNEXITLCZ-UHFFFAOYSA-N