75N-5T4B
General
Type : Piperidine,Quinazoline,Purine
Chemical_Nomenclature : 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[2,1-b]purin-4-one
Canonical SMILES : CC#CCN1C2=C(N=C1N3CCCC(C3)N)N4C=CN=C4N(C2=O)CC5=NC6=CC=CC=C6C(=N5)C
InChI : InChI=1S\/C26H27N9O\/c1-3-4-13-33-22-23(31-26(33)32-12-7-8-18(27)15-32)34-14-11-28-25(34)35(24(22)36)16-21-29-17(2)19-9-5-6-10-20(19)30-21\/h5-6,9-11,14,18H,7-8,12-13,15-16,27H2,1-2H3\/t18-\/m1\/s1
InChIKey : MQXMHDINDWMFHK-GOSISDBHSA-N
Other name(s) : 75N
MW : 481.6
Formula : C26H27N9O
CAS_number :
PubChem : 137348565
UniChem : MQXMHDINDWMFHK-GOSISDBHSA-N
IUPHAR :
Wikipedia :
Target
Families : 75N-5T4B ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 5T4B Human DPP4 in complex with a ligand 34a
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 |