cintirorgon   Click here for help

GtoPdb Ligand ID: 10045

Synonyms: compound 32J [WO2016201225A1] | LYC-55716 | LYC55716
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Cintirorgon (LYC-55716) is a first-in-class, oral, selective RORγ agonist that is being developed by Lycera as a novel immuno-oncology agent. It is one of the chemical structures claimed in Lycera's patent WO2016201225A1 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 101.52
Molecular weight 603.12
XLogP 7.19
No. Lipinski's rules broken 1
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Canonical SMILES FC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(CC(O2)CC(C(=O)O)(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F)F
Isomeric SMILES FC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(C[C@@H](O2)CC(C(=O)O)(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F)F
InChI InChI=1S/C27H23F6NO6S/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30/h3-12,20,25H,13-14H2,1-2H3,(H,35,36)/t20-/m0/s1
Immunopharmacology Comments
RORγ agonists appear to modulate gene expression in such a way as to reprogramme immune cells and improve their function, and to decrease immunosuppressive mechanisms of immune cells. In sum, this action has been shown to decrease tumour growth and enhance survival in in vivo preclinical models of cancer.