SNX281   Click here for help

GtoPdb Ligand ID: 12011

Compound class: Synthetic organic
Comment: SNX281 is a systemically active stimulator of interferon genes (STING) agonist, that was developed to induce anti-tumour immunity [1]. SNX281 is competitive with the endogenous cyclic dinucleotide STING agonist 2'3'-cGAMP. Analysis reveals that SNX281 self-dimerises to generate a structure that is large enough to occupy STING's cyclic dinucleotide binding site, which switches the protein to its active state conformation.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 84.6
Molecular weight 389.09
XLogP 7.24
No. Lipinski's rules broken 1
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Canonical SMILES CSc1c(Cl)ccc2c1n(CC(=O)O)c1c(c2=O)ccc(c1)C(C)(C)C
Isomeric SMILES CSc1c(Cl)ccc2c1n(CC(=O)O)c1c(ccc(c1)C(C)(C)C)c2=O
InChI InChI=1S/C20H20ClNO3S/c1-20(2,3)11-5-6-12-15(9-11)22(10-16(23)24)17-13(18(12)25)7-8-14(21)19(17)26-4/h5-9H,10H2,1-4H3,(H,23,24)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(6-tert-butyl-3-chloro-4-methylsulfanyl-9-oxoacridin-10-yl)acetic acid
Database Links Click here for help
GtoPdb PubChem SID 464244152
PubChem CID 138657983
Search Google for chemical match using the InChIKey CLGJCTXUWJLYHO-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey CLGJCTXUWJLYHO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CLGJCTXUWJLYHO-UHFFFAOYSA-N