Fragment-658
Not inhibitor of Notum. Compound 34 Fragment 658 IC50 330+/-11 microM
General
Type : Fragment inhibitor of Notum,Hydrazide
Chemical_Nomenclature : 2-phenylmethoxybenzohydrazide
Canonical SMILES : C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NN
InChI : InChI=1S\/C14H14N2O2\/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11\/h1-9H,10,15H2,(H,16,17)
InChIKey : WPIKJQNXQSBHPU-UHFFFAOYSA-N
Other name(s) : Fragment 658,Compound 34,TAH,2-(benzyloxy)benzohydrazide,2-phenylmethoxybenzohydrazide,Oprea1_547712,CBDivE_004110,SCHEMBL6748166,CHEMBL1587693,ZINC529455
MW : 242.27
Formula : C14H14N2O2
CAS_number : 380335-36-4
PubChem : 935766
UniChem : WPIKJQNXQSBHPU-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-658 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BC8 Structure of the human Wnt deacylase Notum in complex with fragment 658
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 |