RX8

1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

Created:	2013-01-22
Last modified:	2021-03-13

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5 entries where RX8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	15

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Chemical Component Summary
Name	1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Synonyms	R848; Resiquimod
Systematic Name (OpenEye OEToolkits)	1-[4-azanyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-propan-2-ol
Formula	C₁₇ H₂₂ N₄ O₂
Molecular Weight	314.382
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N
SMILES	CACTVS	3.370	CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
SMILES	OpenEye OEToolkits	1.7.6	CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N
Canonical SMILES	CACTVS	3.370	CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	BXNMTOQRYBFHNZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06530
Name	Resiquimod
Groups	investigational
Description	A substance being studied in the treatment of some types of skin cancer. When put on the skin, resiquimod causes some immune cells to make certain chemicals that may help them kill tumor cells. It is also being studied to find out if adding it to a tumor vaccine improves the antitumor immune response. It is a type of imidazoquinoline and a type of immunomodulator.
Synonyms	Resiquimod
Indication	Investigated for use/treatment in genital herpes.
Categories	Immunologic Factors Immunomodulatory Agents Toll-Like Receptor Agonists
CAS number	144875-48-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Toll-like receptor 7	MVFPMWTLKRQILILFNIILISKLLGARWFPKTLPCDVTLDVPKNHVIVD...	unknown
Toll-like receptor 8	MENMFLQSSMLTCIFLLISGSCELCAEENFSRSYPCDEKKQNDSVIAECS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682