CHEMBL4241199-Cpd7s
IC50 DPP4 0.72 microM
General
Type : Pyrrolidine, Triazol
Chemical_Nomenclature : methyl 1-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]triazole-4-carboxylate
Canonical SMILES : COC(=O)C1=CN(N=N1)[C@H]2C[C@H](NC2)C(=O)N3CCC(C3)(F)F
InChI : InChI=1S\/C13H17F2N5O3\/c1-23-12(22)10-6-20(18-17-10)8-4-9(16-5-8)11(21)19-3-2-13(14,15)7-19\/h6,8-9,16H,2-5,7H2,1H3\/t8-,9-\/m0\/s1
InChIKey : QPWFZOLYRRVRBR-IUCAKERBSA-N
Other name(s) : Compound 7s || BDBM50462428
MW : 329.30
Formula : C13H17F2N5O3
CAS_number :
PubChem : 71520163
UniChem : QPWFZOLYRRVRBR-IUCAKERBSA-N
Target
Families : CHEMBL4241199-Cpd7s ligand of proteins in family
DPP4N_Peptidase_S9
Protein :
human-DPP4
References (1)
| Title : Design, synthesis, structure-activity relationships, and docking studies of 1-(gamma-1,2,3-triazol substituted prolyl)-(S)-3,3-difluoropyrrolidines as a novel series of potent and selective dipeptidyl peptidase-4 inhibitors - Zhang_2013_Chem.Biol.Drug.Des_81_198 |
| Author(s) : Zhang L , Su M , Li J , Ji X , Wang J , Li Z , Liu H |
| Ref : Chemical Biology Drug Des , 81 :198 , 2013 |
| Abstract : |
| PubMedSearch : Zhang_2013_Chem.Biol.Drug.Des_81_198 |
| PubMedID: 22994702 |