75M-5T4F
General
Type : Piperidine,Quinazoline,Cyanide,Purine
Chemical_Nomenclature : 4-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxoimidazo[2,1-b]purin-5-yl]methyl]benzonitrile
Canonical SMILES : CC#CCN1C2=C(N=C1N3CCCC(C3)N)N4C=CN=C4N(C2=O)CC5=CC=C(C=C5)C#N
InChI : InChI=1S\/C24H24N8O\/c1-2-3-12-30-20-21(28-24(30)29-11-4-5-19(26)16-29)31-13-10-27-23(31)32(22(20)33)15-18-8-6-17(14-25)7-9-18\/h6-10,13,19H,4-5,11-12,15-16,26H2,1H3\/t19-\/m1\/s1
InChIKey : KWDNXNYGKOAJBG-LJQANCHMSA-N
Other name(s) : 75M
MW : 440.5
Formula : C24H24N8O
CAS_number :
PubChem : 122172855
UniChem : KWDNXNYGKOAJBG-LJQANCHMSA-N
IUPHAR :
Wikipedia :
Target
Families : 75M-5T4F ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 5T4F Human DPP4 in complex with a ligand 34p
Protein : human-DPP4
References (1)
| Title : Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors - Pissarnitski_2016_Bioorg.Med.Chem_24_5534 |
| Author(s) : Pissarnitski DA , Zhao Z , Cole D , Wu WL , Domalski M , Clader JW , Scapin G , Voigt J , Soriano A , Kelly T , Powles MA , Yao Z , Burnett DA |
| Ref : Bioorganic & Medicinal Chemistry , 24 :5534 , 2016 |
| Abstract : Pissarnitski_2016_Bioorg.Med.Chem_24_5534 |
| ESTHER : Pissarnitski_2016_Bioorg.Med.Chem_24_5534 |
| PubMedSearch : Pissarnitski_2016_Bioorg.Med.Chem_24_5534 |
| PubMedID: 27670099 |
| Gene_locus related to this paper: human-DPP4 |