Fragment-110
Not a true inhibitor of Notum, Fragment-110 compound 9 IC50 > 1000 microM
General
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
Target
Families : Fragment-110 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B8A
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 |