IOCB22-AP446
human-FAP IC50 = 89 pM
General
Type : Pyrrolidine, Quinoline, Carboxamide
Chemical_Nomenclature : N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
Canonical SMILES : COC1=C(C=C(C=C1)CNC(=O)C(=O)C2CCCN2C(=O)CNC(=O)C3=CC=NC4=CC=CC=C34)OC
InChI : InChI=1S\/C27H28N4O6\/c1-36-22-10-9-17(14-23(22)37-2)15-29-27(35)25(33)21-8-5-13-31(21)24(32)16-30-26(34)19-11-12-28-20-7-4-3-6-18(19)20\/h3-4,6-7,9-12,14,21H,5,8,13,15-16H2,1-2H3,(H,29,35)(H,30,34)\/t21-\/m0\/s1
InChIKey : QYNUSKJDVJHHFJ-NRFANRHFSA-N
Other name(s) : Compound 6d, CHEMBL4877950, SCHEMBL23888297, BDBM50578692
MW : 504.5
Formula : C27H28N4O6
CAS_number :
PubChem : 164628729
UniChem : QYNUSKJDVJHHFJ-NRFANRHFSA-N
Target
Families : IOCB22-AP446 ligand of proteins in family
DPP4N_Peptidase_S9
Protein :
human-FAP
References (1)
| Title : Structure-activity relationship and biochemical evaluation of novel fibroblast activation protein and prolyl endopeptidase inhibitors with alpha-ketoamide warheads - Simkova_2021_Eur.J.Med.Chem_224_113717 |
| Author(s) : Simkova A , Ormsby T , Sidej N , Slavetinska LP , Brynda J , Beranova J , Sacha P , Majer P , Konvalinka J |
| Ref : Eur Journal of Medicinal Chemistry , 224 :113717 , 2021 |
| PubMedID: 34371463 |