Not a true inhibitor of Notum, Fragment-110 compound 9 IC50 > 1000 microM
Type : Fragment inhibitor of Notum,Urea derivative,Pyridine
Chemical_Nomenclature : 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
Canonical SMILES : C1CCC(CC1)NC(=O)NCCC2=CC=NC=C2
InChI : InChI=1S\/C14H21N3O\/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12\/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)
InChIKey : XUPGANVQJLTRNJ-UHFFFAOYSA-N
Other name(s) : Fragment 110,Compound 9,AWP,1-Cyclohexyl-3-(2-pyridin-4-yl-ethyl)-urea,TimTec1_006074,HMS1551E02,ZINC104417
MW : 247.34
Formula : C14H21N3O
CAS_number :
PubChem : 712045
UniChem : XUPGANVQJLTRNJ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Families : Fragment-110 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B8A Structure of the human Wnt deacylase Notum in complex with fragment 110
Protein : human-NOTUM
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 |