CHEMBL3687984
General
Type : Cyanide,Piperidine,Purine
Chemical_Nomenclature : 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-7H-imidazo[1,2-a]purin-1-yl]methyl]-4-fluorobenzonitrile
Canonical SMILES : CN1C(=O)CN2C1=NC3=C(C2=O)N(C(=N3)N4CCCC(C4)N)CC5=C(C=CC(=C5)F)C#N
InChI : InChI=1S\/C21H21FN8O2\/c1-27-16(31)11-30-19(32)17-18(25-20(27)30)26-21(28-6-2-3-15(24)10-28)29(17)9-13-7-14(22)5-4-12(13)8-23\/h4-5,7,15H,2-3,6,9-11,24H2,1H3\/t15-\/m1\/s1
InChIKey : KMOYVYIQCXEQDG-OAHLLOKOSA-N
Other name(s) : SCHEMBL14554320,2-({2-[(3r)-3-Aminopiperidin-1-Yl]-5-Methyl-6,9-Dioxo-5,6,7,9-Tetrahydro-1h-Imidazo[1,2-A]purin-1-Yl}methyl)-4-Fluorobenzonitrile,6AJ
MW : 436.45
Formula : C21H21FN8O2
CAS_number :
PubChem : 71203748
UniChem : KMOYVYIQCXEQDG-OAHLLOKOSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3687984 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 5I7U Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor
Protein : human-DPP4
References (1)
| Title : Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes - Wu_2016_ACS.Med.Chem.Lett_7_498 |
| Author(s) : Wu WL , Hao J , Domalski M , Burnett DA , Pissarnitski D , Zhao Z , Stamford A , Scapin G , Gao YD , Soriano A , Kelly TM , Yao Z , Powles MA , Chen S , Mei H , Hwa J |
| Ref : ACS Med Chem Lett , 7 :498 , 2016 |
| Abstract : Wu_2016_ACS.Med.Chem.Lett_7_498 |
| ESTHER : Wu_2016_ACS.Med.Chem.Lett_7_498 |
| PubMedSearch : Wu_2016_ACS.Med.Chem.Lett_7_498 |
| PubMedID: 27190600 |
| Gene_locus related to this paper: human-DPP4 |