Inhibitor Report for: Piperidine-fused-benzimidazole-25 General
Type Trifluoro , Piperidine , Sulfur Compound , Imidazole , Benzimidazole , Sulfonyl Chemical_Nomenclature (2R,3R)-7-methylsulfonyl-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine Canonical SMILES CS(=O)(=O)C1=CC2=C(C=C1)N3CC(C(CC3=N2)C4=CC(=C(C=C4F)F)F)N CS(=O)(=O)C1=CC2=C(C=C1)N3CC(C(CC3=N2)C4=CC(=C(C=C4F)F)F)[NH3+] InChI InChI=1S/C18H16F3N3O2S/c1-27(25,26)9-2-3-17-16(4-9)23-18-6-11(15(22)8-24(17)18)10-5-13(20)14(21)7-12(10)19/h2-5,7,11,15H,6,8,22H2,1H3/t11-,15+/m1/s1 InChIKey HJJAYSSCWGUPKO-ABAIWWIYSA-N HJJAYSSCWGUPKO-ABAIWWIYSA-O Other name(s) (2r,3r)-7-(Methylsulfonyl)-3-(2,4,5-Trifluorophenyl)-1,2,3,4-Tetrahydropyrido[1,2-A]benzimidazol-2-Amine ; CHEMBL1197118 ; DB07193 ; (11R,12R)-5-methanesulfonyl-11-(2,4,5-trifluorophenyl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8-tetraen-12-amine ; 677 ; CHEMBL559940 ; 3hab ; BDBM50296488 ; Trifluoro-acetate(2R,3R)-7-methanesulfonyl-3-(2,4,5-trifluoro-phenyl)-1,2,3,4-tetrahydro-benzo[4,5]imidazo[1,2-a]pyridin-2-yl-ammonium
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Target
Families | Piperidine-fused-benzimidazole-25 ligand of proteins in family: DPP4N_Peptidase_S9 Stucture | 1 structure : 3HAB : The structure of DPP4 in complex with piperidine fused benzimidazole 25 Protein | human-DPP4
References:
Title: Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Edmondson SD , Mastracchio A , Cox JM , Eiermann GJ , He H , Lyons KA , Patel RA , Patel SB , Petrov A and Weber AE <6 more author(s)>
Edmondson SD , Mastracchio A , Cox JM , Eiermann GJ , He H , Lyons KA , Patel RA , Patel SB , Petrov A , Scapin G , Wu JK , Xu S , Zhu B , Thornberry NA , Roy RS , Weber AE (- 6)
Ref: Bioorganic & Medicinal Chemistry Lett, 19 :4097, 2009 : PubMed Abstract