CHEMBL57478
Not inhibitor of Notum. Compound 38 Fragment 718 IC50 120+/-49 microM
General
Type : Fragment inhibitor of Notum,Piperidine,Indole
Chemical_Nomenclature : 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
Canonical SMILES : CC1CCN(CC1)CC2=CNC3=CC=CC=C32
InChI : InChI=1S\/C15H20N2\/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15\/h2-5,10,12,16H,6-9,11H2,1H3
InChIKey : DGCGMYNLCDVYMB-UHFFFAOYSA-N
Other name(s) : 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole,SCHEMBL13504100,ZINC142608,Compound DSPL 718 38,Compound 38,Fragment 718,Fragment-718
MW : 228.33
Formula : C15H20N2
CAS_number : 21000-95-3
PubChem : 30438
UniChem : DGCGMYNLCDVYMB-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL57478 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BCE Structure of the human Wnt deacylase Notum in complex with fragment 718
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 |