CHEMBL4559324
human-PREP Ki 6 nM
General
Type : Pyrrolidine, Boron compound
Chemical_Nomenclature : N-[3-methoxy-4-[(2R)-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
Canonical SMILES : B1(OC2CC3CC(C3(C)C)C2(O1)C)C4CCCN4C(=O)C5=C(C=C(C=C5)NC(=O)C)OC
InChI : InChI=1S\/C24H33BN2O5\/c1-14(28)26-16-8-9-17(18(13-16)30-5)22(29)27-10-6-7-21(27)25-31-20-12-15-11-19(23(15,2)3)24(20,4)32-25\/h8-9,13,15,19-21H,6-7,10-12H2,1-5H3,(H,26,28)\/t15-,19-,20+,21-,24-\/m0\/s1
InChIKey : AKWLBANFCWCWKL-PJFMLXMNSA-N
Other name(s) : BDBM50504804, PD169404, Compound 7k
MW : 440.3
Formula : C24H33BN2O5
CAS_number :
PubChem : 155557938
UniChem : AKWLBANFCWCWKL-PJFMLXMNSA-N
Target
Families : CHEMBL4559324 ligand of proteins in family
S9N_PPCE_Peptidase_S9
Protein :
human-PREP
References (1)
| Title : Discovery of covalent prolyl oligopeptidase boronic ester inhibitors - Plescia_2020_Eur.J.Med.Chem_185_111783 |
| Author(s) : Plescia J , Dufresne C , Janmamode N , Wahba AS , Mittermaier AK , Moitessier N |
| Ref : Eur Journal of Medicinal Chemistry , 185 :111783 , 2020 |
| PubMedID: 31732257 |
| Gene_locus related to this paper: human-PREP |