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
UniChem : XJKMEOFFCYJCGT-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-714 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BCD Structure of the human Wnt deacylase Notum in complex with fragment 714
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 : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| ESTHER : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |