Pyrrolidine-8-6YV2
IC50 48 +/- 31 microM Notum with OPTS substrate
General
Type : Pyrrole_Pyrrolidine-derivative
Chemical_Nomenclature : (3R)-1-phenylpyrrolidine-3-carboxylic acid
Canonical SMILES : C1CN(CC1C(=O)O)C2=CC=CC=C2
InChI : InChI=1S\/C11H13NO2\/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10\/h1-5,9H,6-8H2,(H,13,14)\/t9-\/m1\/s1
InChIKey : IOFLKIRLUFZCHR-SECBINFHSA-N
Other name(s) : Pyrrolidine-3-carboxylic acid fragment 598,PUE,(3~{R})-1-phenylpyrrolidine-3-carboxylic acid,SCHEMBL16695597,ZINC20357882
MW : 191.23
Formula : C11H13NO2
CAS_number :
UniChem : IOFLKIRLUFZCHR-SECBINFHSA-N
IUPHAR :
Wikipedia :
Target
Families : Pyrrolidine-8-6YV2 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 6YV2 Structure of the human Wnt deacylase Notum in complex with a pyrrolidine-3-carboxylic acid fragment 598
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 |