CHEMBL3112966
General
Type : Piperidine
Chemical_Nomenclature : 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
Canonical SMILES : C1CCN(C(=O)C1)C2CCC(CC2)(CN)C3=CC(=CC=C3)Cl
InChI : InChI=1S\/C18H25ClN2O\/c19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22\/h3-5,12,16H,1-2,6-11,13,20H2
InChIKey : HPAJLBAQCKXNNT-UHFFFAOYSA-N
Other name(s) : SCHEMBL14483663,SCHEMBL14483667,SCHEMBL14483668,BDBM50447695,2KV
MW : 320.86
Formula : C18H25ClN2O
CAS_number :
PubChem : 71184749
UniChem : HPAJLBAQCKXNNT-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3112966 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 4N8E DPP4 complexed with compound 12a
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 |