Compound class:
Synthetic organic
Comment: This is the most potent compound developed via a pharmacophore and docking-based virtual screening campaign aimed at the discovery of small molecule inhibitors of the IL-15/IL-15R interaction [2]. Specifically, the investigators were searching for compounds that inhibit IL-15 binding to the IL-2Rβ subunit which together with the γ subunit, forms the signal transducing component of the IL-15R complex. Although the compound was found to be non-selective for IL-15 over IL-2, as a first in vitro SAR study it provides crucial information on the key binding interactions of IL-15 with its IL-2Rβ binding site, that will be useful for futher compound optimisation.
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Classification | |
Compound class | Synthetic organic |
IUPAC Name |
ethyl 3-[8-({4-methyl-5-[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)octanamido]benzoate |
Database Links | |
GtoPdb PubChem SID | 340590239 |
PubChem CID | 129320517 |
Search Google for chemical match using the InChIKey | GWNFQAKCJYEJEW-UHFFFAOYSA-N |
Search Google for chemicals with the same backbone | GWNFQAKCJYEJEW |
UniChem Compound Search for chemical match using the InChIKey | GWNFQAKCJYEJEW-UHFFFAOYSA-N |
UniChem Connectivity Search for chemical match using the InChIKey | GWNFQAKCJYEJEW-UHFFFAOYSA-N |