RIPK2 inhibitor 8   Click here for help

GtoPdb Ligand ID: 9688

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: This compound 8 is a potent, selective and orally bioavailable RIPK2 inhibitor, that is suitable as an experimental tool to examine the effects of inhibition of RIPK2 in in vitro and in vivo experiments [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 107.96
Molecular weight 392.13
XLogP 3.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCOc1cc2ncc(n2cc1S(=O)(=O)C(C)(C)C)c1cc(N)nc(c1)F
Isomeric SMILES CCOc1cc2ncc(n2cc1S(=O)(=O)C(C)(C)C)c1cc(N)nc(c1)F
InChI InChI=1S/C18H21FN4O3S/c1-5-26-13-8-17-21-9-12(11-6-15(19)22-16(20)7-11)23(17)10-14(13)27(24,25)18(2,3)4/h6-10H,5H2,1-4H3,(H2,20,22)
InChI Key QWDMZDSZMVJFFJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[7-ethoxy-6-(2-methylpropane-2-sulfonyl)imidazo[1,2-a]pyridin-3-yl]-6-fluoropyridin-2-amine
Database Links Click here for help
GtoPdb PubChem SID 348353647
PubChem CID 131801159
Search Google for chemical match using the InChIKey QWDMZDSZMVJFFJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QWDMZDSZMVJFFJ
Search UniChem for chemical match using the InChIKey QWDMZDSZMVJFFJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QWDMZDSZMVJFFJ