Fragment-791
Not inhibitor of Notum. Compound 43 Fragment 791 IC50 87+/-54.7 microM
General
Type : Fragment inhibitor of Notum,Carboxamide
Chemical_Nomenclature : (2S)-N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide
Canonical SMILES : COC1=CC=C(C=C1)CNC(=O)C2CCCO2
InChI : InChI=1S\/C13H17NO3\/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12\/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)\/t12-\/m0\/s1
InChIKey : VUHXHMGNBINEHD-LBPRGKRZSA-N
Other name(s) : Fragment 791,compound 43,(2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide,ZINC476532,(2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide,T9B
MW : 235.28
Formula : C13H17NO3
CAS_number :
PubChem : 898585
UniChem : VUHXHMGNBINEHD-LBPRGKRZSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-791 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BCK Structure of the human Wnt deacylase Notum in complex with fragment 791
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 |