Fragment-886
Not inhibitor of Notum. Compound 51 Fragment 886 IC50 >1000 microM
General
Type : Fragment inhibitor of Notum,Piperidine,Pyrazole
Chemical_Nomenclature : (4-chloro-2-methylpyrazol-3-yl)-piperidin-1-ylmethanone
Canonical SMILES : CN1C(=C(C=N1)Cl)C(=O)N2CCCCC2
InChI : InChI=1S\/C10H14ClN3O\/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14\/h7H,2-6H2,1H3
InChIKey : KRGQOKCRZMRVRH-UHFFFAOYSA-N
Other name(s) : Fragment 886,Compound 51,GW1,(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone,MLS001060422,CHEMBL1347703,ZINC355961
MW : 227.69
Formula : C10H14ClN3O
CAS_number : 491828-56-9
PubChem : 831977
UniChem : KRGQOKCRZMRVRH-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-886 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BD9 Structure of the human Wnt deacylase Notum in complex with fragment 886
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 |