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Inhibitor Report for: Pyrrole-20i-6YXI

IC50 0.43 +/- 0.04 microM Notum with OPTS substrate


General
Type Pyrrole_Pyrrolidine-derivative
Chemical_Nomenclature 1-(3-chlorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
Canonical SMILES CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C(=O)O
InChI InChI=1S/C13H12ClNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)
InChIKey SNPBYQCWMKALIT-UHFFFAOYSA-N
Other name(s) PZ8 ; 1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ; 923721-15-7 ; CTK6H2671 ; ZINC19949328
________________________________________________________________________________________________
MW|249.69
Formula|C13H12ClNO2
CAS_number|
PubChem|16228326
UniChem|SNPBYQCWMKALIT-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Pyrrole-20i-6YXI ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 6YXI: Structure of human Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor
Protein | human-NOTUM

References:
Search PubMed for references concerning: Pyrrole-20i-6YXI
    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