Fragment-201
Not inhibitor of Notum. Compound 20 Fragment 201 IC50 110+/-21 microM
General
Type : Fragment inhibitor of Notum,Piperidine,Oxadiazol
Chemical_Nomenclature : 4-piperidin-1-yl-1,2,5-oxadiazol-3-amine
Canonical SMILES : C1CCN(CC1)C2=NON=C2N
InChI : InChI=1S\/C7H12N4O\/c8-6-7(10-12-9-6)11-4-2-1-3-5-11\/h1-5H2,(H2,8,9)
InChIKey : RVSIGDHRHURXCQ-UHFFFAOYSA-N
Other name(s) : Fragment 201,Compound 20,RUY,4-Piperidin-1-yl-furazan-3-ylamine,MLS000035855,SMR000010206,4-(Piperidin-1-yl)-1,2,5-oxadiazol-3-amine,Oprea1_005762,Oprea1_317067,CHEMBL1330631,ZINC322796
MW : 168.20
Formula : C7H12N4O
CAS_number :
PubChem : 653935
UniChem : RVSIGDHRHURXCQ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-201 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B8U Structure of the human Wnt deacylase Notum in complex with fragment 201
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 |