CHEMBL3112961
General
Type :
Chemical_Nomenclature : [1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
Canonical SMILES : C1CC(CCC1OCC=CC2=CC=CC=C2)(CN)C3=CC=CC=C3
InChI : InChI=1S\/C22H27NO\/c23-18-22(20-11-5-2-6-12-20)15-13-21(14-16-22)24-17-7-10-19-8-3-1-4-9-19\/h1-12,21H,13-18,23H2\/b10-7+
InChIKey : JACSEOHFDRDIAI-JXMROGBWSA-N
Other name(s) : SCHEMBL14483466,SCHEMBL14483468,SCHEMBL14549632,C-[1-Phenyl-4-((E)-3-phenyl-allyloxy)-cyclohexyl]-methylamine,2KS,1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine
MW : 321.46
Formula : C22H27NO
CAS_number :
PubChem : 72725804
UniChem : JACSEOHFDRDIAI-JXMROGBWSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3112961 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 4N8D DPP4 complexed with syn-7aa
Protein : human-DPP4
References (1)
| Title : Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV - Namoto_2014_Bioorg.Med.Chem.Lett_24_731 |
| Author(s) : Namoto K , Sirockin F , Ostermann N , Gessier F , Flohr S , Sedrani R , Gerhartz B , Trappe J , Hassiepen U , Duttaroy A , Ferreira S , Sutton JM , Clark DE , Fenton G , Beswick M , Baeschlin DK |
| Ref : Bioorganic & Medicinal Chemistry Lett , 24 :731 , 2014 |
| Abstract : Namoto_2014_Bioorg.Med.Chem.Lett_24_731 |
| ESTHER : Namoto_2014_Bioorg.Med.Chem.Lett_24_731 |
| PubMedSearch : Namoto_2014_Bioorg.Med.Chem.Lett_24_731 |
| PubMedID: 24439847 |
| Gene_locus related to this paper: human-DPP4 |