Fragment-705
Not inhibitor of Notum. Compound 36 Fragment 705 IC50 53+/-18 microM
General
Type : Fragment inhibitor of Notum,Morpholine
Chemical_Nomenclature : 4-(4-pyrrol-1-ylphenyl)morpholine
Canonical SMILES : C1COCCN1C2=CC=C(C=C2)N3C=CC=C3
InChI : InChI=1S\/C14H16N2O\/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16\/h1-8H,9-12H2
InChIKey : VJGOAQUQJGASLY-UHFFFAOYSA-N
Other name(s) : TB5,Fragment 705,Compound 36,MLS000528033,4-(4-Pyrrol-1-yl-phenyl)-morpholine,4-[4-(1H-pyrrol-1-yl)phenyl]morpholine,SMR000120607
MW : 228.29
Formula : C14H16N2O
CAS_number :
PubChem : 882019
UniChem : VJGOAQUQJGASLY-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-705 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BCC Structure of the human Wnt deacylase Notum in complex with fragment 705
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 |