Pyrrolidine-10-6YV0
IC50 19 +/- 14 microM Notum with OPTS substrate
General
Type : Pyrrole_Pyrrolidine-derivative
Chemical_Nomenclature : (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
Canonical SMILES : C1CN(CC1C(=O)O)C2=CC=CC=C2Cl
InChI : InChI=1S\/C11H12ClNO2\/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15\/h1-4,8H,5-7H2,(H,14,15)\/t8-\/m1\/s1
InChIKey : FPGYADRKFPWWLU-MRVPVSSYSA-N
Other name(s) : Pyrrolidine-3-carboxylic acid fragment 587,PQT,(3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid,ZINC84499328
MW : 225.67
Formula : C11H12ClNO2
CAS_number :
PubChem : 97013871
UniChem : FPGYADRKFPWWLU-MRVPVSSYSA-N
IUPHAR :
Wikipedia :
Target
Families : Pyrrolidine-10-6YV0 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 6YV0 Structure of the human Wnt deacylase Notum in complex with a pyrrolidine-3-carboxylic acid fragment 587
Protein : human-NOTUM
References (1)
| Title : Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity - Mahy_2020_J.Med.Chem_63_9464 |
| Author(s) : Mahy W , Patel M , Steadman D , Woodward HL , Atkinson BN , Svensson F , Willis NJ , Flint A , Papatheodorou D , Zhao Y , Vecchia L , Ruza RR , Hillier J , Frew S , Monaghan A , Costa A , Bictash M , Walter MW , Jones EY , Fish PV |
| Ref : Journal of Medicinal Chemistry , 63 :9464 , 2020 |
| Abstract : Mahy_2020_J.Med.Chem_63_9464 |
| ESTHER : Mahy_2020_J.Med.Chem_63_9464 |
| PubMedSearch : Mahy_2020_J.Med.Chem_63_9464 |
| PubMedID: 32787107 |
| Gene_locus related to this paper: human-NOTUM |