BR102910

IC50 FAP 1 nM highly selective over PREP

General

Type : Quinoline,Carboxamide,Pyrrolidine,Cyanide,Sulfur Compound

Chemical_Nomenclature : N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide

Canonical SMILES : C1C(N(CC1(F)F)C(=O)CNC(=O)C2=CSC(=N2)CC3=CC(=C(C=C3)Cl)Cl)C#N

InChI : InChI=1S\/C18H14Cl2F2N4O2S\/c19-12-2-1-10(3-13(12)20)4-15-25-14(8-29-15)17(28)24-7-16(27)26-9-18(21,22)5-11(26)6-23\/h1-3,8,11H,4-5,7,9H2,(H,24,28)\/t11-\/m0\/s1

InChIKey : JTSUDVSZJDOOJG-NSHDSACASA-N

Other name(s) : CHEMBL4786982,compound 24,EX-A7381


MW : 459.3

Formula : C18H14Cl2F2N4O2S

CAS_number : 2505339-54-6

PubChem : 155754825

UniChem : JTSUDVSZJDOOJG-NSHDSACASA-N

IUPHAR :

Wikipedia :

Target

Families : BR102910 ligand of proteins in family: DPP4N_Peptidase_S9

Stucture :

Protein : human-FAP

References (1)

Title : Identification of BR102910 as a selective fibroblast activation protein (FAP) inhibitor - Jung_2021_Bioorg.Med.Chem.Lett_37_127846
Author(s) : Jung HJ , Nam EH , Park JY , Ghosh P , Kim IS
Ref : Bioorganic & Medicinal Chemistry Lett , 37 :127846 , 2021
Abstract : Jung_2021_Bioorg.Med.Chem.Lett_37_127846
ESTHER : Jung_2021_Bioorg.Med.Chem.Lett_37_127846
PubMedSearch : Jung_2021_Bioorg.Med.Chem.Lett_37_127846
PubMedID: 33571650