SCHEMBL16509423
FAP inhibitor IC50 20 nM with excellent selectivity over DPP-IV, DPP-II, DPP8, and DPP9 (IC50 > 100 M)
General
Type : Pyrrolidine, Cyanide, Isoindole
Chemical_Nomenclature : (4S)-1-[(2S,4S)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]-4-fluoropyrrolidine-2-carbonitrile
Canonical SMILES : C1[C@H](C(=O)N[C@@H]1C(=O)N2C[C@H](CC2C#N)F)CC(=O)N3CC4=CC=CC=C4C3
InChI : InChI=1S\/C20H21FN4O3\/c21-15-7-16(8-22)25(11-15)20(28)17-5-14(19(27)23-17)6-18(26)24-9-12-3-1-2-4-13(12)10-24\/h1-4,14-17H,5-7,9-11H2,(H,23,27)\/t14-,15-,16?,17-\/m0\/s1
InChIKey : UYJOKMDLJXDDNB-KWEKYREISA-N
Other name(s) : Compound 18a
MW : 384.4
Formula : C20H21FN4O3
CAS_number :
PubChem : 117905265
UniChem : UYJOKMDLJXDDNB-KWEKYREISA-N
Target
Families : SCHEMBL16509423 ligand of proteins in family
DPP4N_Peptidase_S9
Protein :
human-FAP
References (2)
| Title : Design and characterization of fibroblast activation protein targeted pan-cancer imaging agent for fluorescence-guided surgery of solid tumors - Mukkamala_2022_J.Mater.Chem.B_10_2038 |
| Author(s) : Mukkamala R , Lindeman SD , Kragness KA , Shahriar I , Srinivasarao M , Low PS |
| Ref : J Mater Chem B , 10 :2038 , 2022 |
| Abstract : |
| PubMedSearch : Mukkamala_2022_J.Mater.Chem.B_10_2038 |
| PubMedID: 35255116 |
| Gene_locus related to this paper: human-FAP |
| Title : Substituted 4-carboxymethylpyroglutamic acid diamides as potent and selective inhibitors of fibroblast activation protein - Tsai_2010_J.Med.Chem_53_6572 |
| Author(s) : Tsai TY , Yeh TK , Chen X , Hsu T , Jao YC , Huang CH , Song JS , Huang YC , Chien CH , Chiu JH , Yen SC , Tang HK , Chao YS , Jiaang WT |
| Ref : Journal of Medicinal Chemistry , 53 :6572 , 2010 |
| Abstract : |
| PubMedSearch : Tsai_2010_J.Med.Chem_53_6572 |
| PubMedID: 20718420 |