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Fragment-714

Not inhibitor of Notum. Compound 37 Fragment 714 IC50 58+/-19 microM

General

Type : Fragment inhibitor of Notum, Morpholine, Naphthalen

Chemical_Nomenclature : 2-(morpholin-4-ylmethyl)naphthalen-1-ol

Canonical SMILES : C1COCCN1CC2=C(C3=CC=CC=C3C=C2)O

InChI : InChI=1S\/C15H17NO2\/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15\/h1-6,17H,7-11H2

InChIKey : XJKMEOFFCYJCGT-UHFFFAOYSA-N

Other name(s) : Fragment 714  ||  Compound 37  ||  T9Z  ||  2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol  ||  1-Naphthalenol, 2-(4-morpholinylmethyl)-  ||  2-(morpholin-4-ylmethyl)naphthalen-1-ol  ||  2-(morpholinomethyl)-1-naphthol  ||  NSC670853  ||  Oprea1_065123  ||  Oprea1_175196  ||  SCHEMBL5307965  ||  CHEMBL1408056  ||  ZINC19229540

MW : 244.31 || 243.30

Formula : C15H18NO2+ || C15H17NO2

CAS_number : 14074-21-6

PubChem : 6928333,    382950

UniChem : XJKMEOFFCYJCGT-UHFFFAOYSA-N

Target

Families : Fragment-714 ligand of proteins in family
Pectinacetylesterase-Notum

Structure :
7BCD

Protein :
human-NOTUM

References (1)

Title : Structural Analysis and Development of Notum Fragment Screening Hits - Zhao_2022_ACS.Chem.Neurosci_13_2060
Author(s) : Zhao Y , Mahy W , Willis NJ , Woodward HL , Steadman D , Bayle ED , Atkinson BN , Sipthorp J , Vecchia L , Ruza RR , Harlos K , Jeganathan F , Constantinou S , Costa A , Kjaer S , Bictash M , Salinas PC , Whiting P , Vincent JP , Fish PV , Jones EY
Ref : ACS Chem Neurosci , 13 :2060 , 2022
Abstract :
PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060
PubMedID: 35731924
Gene_locus related to this paper: human-NOTUM