ARUK3005522

General

Type : Fragment inhibitor of Notum,Indole

Chemical_Nomenclature : (3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one

Canonical SMILES : c1ccc2c(c1)C[C@@H]3N2C(=O)CC3 || C1CC(=O)N2C1CC3=CC=CC=C32

InChI : InChI=1S\/C11H11NO\/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9)11\/h1-4,9H,5-7H2\/t9-\/m1\/s1 || InChI=1S\/C11H11NO\/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9)11\/h1-4,9H,5-7H2

InChIKey : QPPMCKRHXDXQPA-SECBINFHSA-N || QPPMCKRHXDXQPA-UHFFFAOYSA-N

Other name(s) : RGU,Compound 5f,1,2,9,9a-tetrahydro-3H-pyrrolo[1,2-a]indol-3-one,3,3a,4,9-tetrahydro-2H-pyrrolo[1,5-a]indol-1-one,1,2,9,9a-Tetrahydro-3H-pyrrolo[1,2-a]indole-3-one,2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one


MW : 173.21

Formula : C11H11NO

CAS_number :

PubChem : 12365522

UniChem : QPPMCKRHXDXQPA-SECBINFHSA-N || QPPMCKRHXDXQPA-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : ARUK3005522 ligand of proteins in family: Pectinacetylesterase-Notum

Stucture : 8BSZ Structure of the human Wnt deacylase Notum in complex with ARUK3005522

Protein : human-NOTUM

References (1)

Title : Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity - Atkinson_2023_Eur.J.Med.Chem_251_115132
Author(s) : Atkinson BN , Willis NJ , Zhao Y , Patel C , Frew S , Costelloe K , Magno L , Svensson F , Jones EY , Fish PV
Ref : Eur Journal of Medicinal Chemistry , 251 :115132 , 2023
Abstract : Atkinson_2023_Eur.J.Med.Chem_251_115132
ESTHER : Atkinson_2023_Eur.J.Med.Chem_251_115132
PubMedSearch : Atkinson_2023_Eur.J.Med.Chem_251_115132
PubMedID: 36934521
Gene_locus related to this paper: human-NOTUM