75L-5T4E
General
Type : Piperidine,Pyrimidine,Quinazoline,Purine
Chemical_Nomenclature : 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-6-[(4-methylquinazolin-2-yl)methyl]-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one
Canonical SMILES : CC#CCN1C2=C(N=C1N3CCCC(C3)N)N4CCCN(C4=NC2=O)CC5=NC6=CC=CC=C6C(=N5)C
InChI : InChI=1S\/C27H31N9O\/c1-3-4-14-35-23-24(31-26(35)33-12-7-9-19(28)16-33)36-15-8-13-34(27(36)32-25(23)37)17-22-29-18(2)20-10-5-6-11-21(20)30-22\/h5-6,10-11,19H,7-9,12-17,28H2,1-2H3\/t19-\/m1\/s1
InChIKey : QWESHPQYRLOVFN-LJQANCHMSA-N
Other name(s) : 75L
MW : 497.6
Formula : C27H31N9O
CAS_number :
PubChem : 122172854
UniChem : QWESHPQYRLOVFN-LJQANCHMSA-N
IUPHAR :
Wikipedia :
Target
Families : 75L-5T4E ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 5T4E Human DPP4 in complex with a ligand 19a
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 |