SCHEMBL30685148
DPP9 inhibitor IC50 12.9 +/- 0.77 nM DPP9 dipeptidyl peptidase 9 (human); IC50 757 +/- 111 nM DPP8 dipeptidyl peptidase 8 (human). DPP2 >5000; DPP4 >10000; FAP >10000; PREP >10000
General
Type : Indole, Adamantyl, Isoindole
Chemical_Nomenclature : N-[(5R,7S)-3-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-1-adamantyl]-4-(4-fluorophenyl)benzamide
Canonical SMILES : C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)NCC(=O)N6CC7=C(C6)C=C(C=C7)F || O=C(C1=CC=C(C2=CC=C(F)C=C2)C=C1)N[C@@]34C[C@H](C[C@]5(NCC(N6CC(C=CC(F)=C7)=C7C6)=O)C4)C[C@H](C5)C3
InChI : InChI=1S\/C33H33F2N3O2\/c34-28-8-5-24(6-9-28)23-1-3-25(4-2-23)31(40)37-33-15-21-11-22(16-33)14-32(13-21,20-33)36-17-30(39)38-18-26-7-10-29(35)12-27(26)19-38\/h1-10,12,21-22,36H,11,13-20H2,(H,37,40)\/t21-,22+,32?,33?
InChIKey : XYJSAJMPFVAGQR-NHXYWFHBSA-N
Other name(s) : Compound 6e
MW : 541.6
Formula : C33H33F2N3O2
CAS_number :
PubChem : 175969820
UniChem : XYJSAJMPFVAGQR-NHXYWFHBSA-N
Target
Families : SCHEMBL30685148 ligand of proteins in family
DPP4N_Peptidase_S9
Protein :
human-DPP9
References (1)
| Title : Selective and Orally Bioavailable Dipeptidyl Peptidase 9 Inhibitors with Potent Pyroptosis Induction Properties - Filippi_2025_J.Med.Chem__ |
| Author(s) : Filippi N , Mertens K , De Loose J , Benramdane S , Hermans R , Espadinha M , Dirkx L , Feijens PB , Nozal V , Verhulst E , Peeters S , Gomard T , Corthaut S , Augustyns K , Caljon G , Schols D , De Meester I , Van der Veken P |
| Ref : Journal of Medicinal Chemistry , : , 2025 |
| Abstract : |
| PubMedSearch : Filippi_2025_J.Med.Chem__ |
| PubMedID: 41160575 |
| Gene_locus related to this paper: human-DPP9 |