Pyrrole-7-6YUW
IC50 12.7 +/- 6.2 microM Notum with OPTS substrate
General
Type : Pyrrole_Pyrrolidine-derivative,Cyclopropyl
Chemical_Nomenclature : 1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid
Canonical SMILES : CC1=CC(=C(N1CC2CC2)C)C(=O)O
InChI : InChI=1S\/C11H15NO2\/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9\/h5,9H,3-4,6H2,1-2H3,(H,13,14)
InChIKey : IRPSDSAYDMWHCN-UHFFFAOYSA-N
Other name(s) : Pyrrole-3-carboxylic acid fragment 454,PQZ,1-(cyclopropylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid,1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid,CTK7I6991,ZINC22212771
MW : 193.24
Formula : C11H15NO2
CAS_number : 953906-47-3
PubChem : 16788534
UniChem : IRPSDSAYDMWHCN-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Pyrrole-7-6YUW ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 6YUW Structure of the human Wnt deacylase Notum in complex with a pyrrole-3-carboxylic acid fragment 454
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 |