DPP4-inhibitor-Cpd46
IC50 2 nM human-dpp4; 3321nM dpp8; 2840nM dpp9
General
Type : Sulfur Compound, Pyrazole, Pyrimidine, Pyrrolidine
Chemical_Nomenclature : 2-Amino-4-(3,4-difluorophenyl)-6-methyl-1-(2-(2-(methylsulfonyl)-2,6-dihydropyrrolo-[3,4-c]pyrazol-5(4H)-yl)acetyl)-1,4-dihydropyrimidine-5-carboxylic acid
Canonical SMILES : N1=C2C(=C[N]1[S](C)(=O)=O)CN(C2)CC(N3C(=NC(C(=C3C)C(=O)O)C4=CC(=C(C=C4)F)F)N)=O
InChI : InChI=1S\/C20H20F2N6O5S\/c1-10-17(19(30)31)18(11-3-4-13(21)14(22)5-11)24-20(23)28(10)16(29)9-26-6-12-7-27(34(2,32)33)25-15(12)8-26\/h3-5,7,18H,6,8-9H2,1-2H3,(H2,23,24)(H,30,31)
InChIKey : HLIFHFWESZWUOJ-UHFFFAOYSA-N
Other name(s) : Compound 46
Target
Families : DPP4-inhibitor-Cpd46 ligand of proteins in family
DPP4N_Peptidase_S9
Protein :
human-DPP4
References (1)
| Title : Discovery of the selective and nanomolar inhibitor of DPP-4 more potent than sitagliptin by structure-guided rational design - Mobeen_2024_Eur.J.Med.Chem_279_116834 |
| Author(s) : Mobeen B , Shah M , Rehman HM , Jan MS , Rashid U |
| Ref : Eur Journal of Medicinal Chemistry , 279 :116834 , 2024 |
| Abstract : |
| PubMedSearch : Mobeen_2024_Eur.J.Med.Chem_279_116834 |
| PubMedID: 39265251 |