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Inhibitor Report for: DA-12228

S,R diastereomer of Evogliptin. Derivative of DA-1266. DPP4 IC50 51.7 nM


General
Type Gliptin, Trifluoro, Piperazine
Chemical_Nomenclature (3S)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
Canonical SMILES CC(C)(C)OCC1C(=O)NCCN1C(=O)CC(CC2=CC(=C(C=C2F)F)F)N
InChI InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16+/m1/s1
InChIKey LCDDAGSJHKEABN-WBMJQRKESA-N
Other name(s) 8OL ; SCHEMBL2298513
________________________________________________________________________________________________
MW|401.43
Formula|C19H26F3N3O3
CAS_number|
PubChem|25056009
UniChem|LCDDAGSJHKEABN-WBMJQRKESA-N
IUPHAR|
Wikipedia|

Target
Families | DA-12228 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture | 1 structure: 5Y7J: Crystal structure of human DPP4 in complex with inhibitor DA-12228
Protein | human-DPP4

References:
Search PubMed for references concerning: DA-12228
    Title: Unique binding mode of Evogliptin with human dipeptidyl peptidase IV
    Lee HK, Kim MK, Kim HD, Kim HJ, Kim JW, Lee JO, Kim CW, Kim EE
    Ref: Biochemical & Biophysical Research Communications, 494:452, 2017 : PubMed