selnoflast   Click here for help

GtoPdb Ligand ID: 12173

Synonyms: Example 6 [WO2019008025A1] | RG-6418 | RG6418
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Selnoflast (RG6418) is a small molecule inhibitor of NLRP3 inflammasome activation [1]. It is structurally related to MCC950 and emlenoflast (MCC7840). Inhibition of NLRP3 inflammasome activity has anti-inflammatory action that can be applied for the treatment of chronic inflammatory diseases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 86.89
Molecular weight 391.19
XLogP 3.32
No. Lipinski's rules broken 0
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Canonical SMILES CCN1CCC(CC1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2
Isomeric SMILES CCN1CCC(CC1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2
InChI InChI=1S/C20H29N3O3S/c1-2-23-11-9-16(10-12-23)27(25,26)22-20(24)21-19-17-7-3-5-14(17)13-15-6-4-8-18(15)19/h13,16H,2-12H2,1H3,(H2,21,22,24)
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
11687 selnoflast
Synonyms Click here for help
Example 6 [WO2019008025A1] | RG-6418 | RG6418
Database Links Click here for help
CAS Registry No. 2260969-36-4 (source: WHO INN record)
GtoPdb PubChem SID 472319295
PubChem CID 137402358
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UniChem Compound Search for chemical match using the InChIKey OHIFQOUPTWBQLE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OHIFQOUPTWBQLE-UHFFFAOYSA-N