resiquimod   Click here for help

GtoPdb Ligand ID: 5051

Synonyms: R-848 | R848
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Resiquimod (R-848) is a more potent derivative of the imidazoquinoline compound imiquimod [1]. It acts as a TLR7 agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 86.19
Molecular weight 314.17
XLogP 1.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N
Isomeric SMILES CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N
InChI InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)
InChI Key BXNMTOQRYBFHNZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
International Nonproprietary Names Click here for help
INN number INN
7937 resiquimod
Synonyms Click here for help
R-848 | R848
Database Links Click here for help
CAS Registry No. 144875-48-9
ChEBI CHEBI:36706
ChEMBL Ligand CHEMBL383322
GtoPdb PubChem SID 178101746
PubChem CID 159603
RCSB PDB Ligand RX8
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Wikipedia Resiquimod

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Tocris
Resiquimod
Cat. No. 4536