Pyrrole-5-6YUY
IC50 6.7 +/- 3.6 microM Notum with OPTS substrate
General
Type : Pyrrole_Pyrrolidine-derivative,Trifluoro
Chemical_Nomenclature : 2-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
Canonical SMILES : CC1=C(C=C(N1)C(F)(F)F)C(=O)O
InChI : InChI=1S\/C7H6F3NO2\/c1-3-4(6(12)13)2-5(11-3)7(8,9)10\/h2,11H,1H3,(H,12,13)
InChIKey : FZYQYTJVKWEWQJ-UHFFFAOYSA-N
Other name(s) : PQH,2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid,CTK7I6519,ZINC32627358
MW : 193.12
Formula : C7H6F3NO2
CAS_number : 191548-90-0
PubChem : 11769371
UniChem : FZYQYTJVKWEWQJ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Pyrrole-5-6YUY ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 6YUY Structure of the human Wnt deacylase Notum in complex with a pyrrole-3-carboxylic acid fragment 471
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 |