Fragment-810
Not inhibitor of Notum. Compound 45 Fragment 810 IC50 720+/-18 microM
General
Type : Pyridine,Carboxamide
Chemical_Nomenclature : N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
Canonical SMILES : C1=CC=NC(=C1)C(=O)NCCC2=CC=C(C=C2)O
InChI : InChI=1S\/C14H14N2O2\/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13\/h1-7,9,17H,8,10H2,(H,16,18)
InChIKey : YXENGKAXLJYJOP-UHFFFAOYSA-N
Other name(s) : NUM,Fragment 810,ZINC1016488,STK297890,AKOS001679946,Compound 45
MW : 242.27
Formula : C14H14N2O2
CAS_number : 791805-78-2
PubChem : 1234046
UniChem : YXENGKAXLJYJOP-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-810 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BD2 Structure of the human Wnt deacylase Notum in complex with fragment 810
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 |