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Inhibitor Report for: 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 | 1 structure: 6YUY: Structure of the Wnt deacylase Notum in complex with a pyrrole-3-carboxylic acid fragment 471
Protein | human-NOTUM

References:
Search PubMed for references concerning: Pyrrole-5-6YUY
    Title: Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity
    Mahy W, Patel M, Steadman D, Woodward HL, Atkinson BN, Svensson F, Willis NJ, Flint A, Papatheodorou D and Fish PV <10 more author(s)>
    Ref: Journal of Medicinal Chemistry, 63:9464, 2020 : PubMed