EcoDrugPlus


Synonyms	CD-11301 CD11301 R-848 Resiquimod
Status
Molecule Category	Free-form
UNII	V3DMU7PVXF
EPA CompTox	DTXSID7040603


InChI Key	BXNMTOQRYBFHNZ-UHFFFAOYSA-N
Smiles	CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
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)

Property Name	Value
Molecular Formula	C17H22N4O2
Molecular Weight	314.39
AlogP	2.47
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	86.19
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	23.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Toll-like and Il-1 receptors	75-750	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Hepatitis C virus	24-26.5	-	-	-	-
Homo sapiens	75-750	-	-	-	-

Resources	Reference
ChEBI	36706
ChEMBL	CHEMBL383322
DrugBank	DB06530
FDA SRS	V3DMU7PVXF
Guide to Pharmacology	5051
PDB	RX8
PubChem	159603
SureChEMBL	SCHEMBL34159
ZINC	ZINC000028572103

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

RESIQUIMOD

Structure

Physicochemical Descriptors

Pharmacology

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