Fragment-147
Not inhibitor of Notum. Compound 10 Fragment 147 IC50 700+/-100 micr
General
Type : Fragment inhibitor of Notum,Carboxamide,Pyridine,Not A\/B H target
Chemical_Nomenclature : 2-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
Canonical SMILES : CC1=C(N2C=CC=CC2=N1)C(=O)NCC(C)C
InChI : InChI=1S\/C13H17N3O\/c1-9(2)8-14-13(17)12-10(3)15-11-6-4-5-7-16(11)12\/h4-7,9H,8H2,1-3H3,(H,14,17)
InChIKey : QQNPIZGIGPGFPW-UHFFFAOYSA-N
Other name(s) : Fragment 147,GRV,N-isobutyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide,Oprea1_380040,MLS000698354,CHEMBL1381910,HMS2593O16,HMS3382C22
MW : 231.29
Formula : C13H17N3O
CAS_number :
PubChem : 757612
UniChem : QQNPIZGIGPGFPW-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-147 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B8C Structure of the human Wnt deacylase Notum in complex with fragment 147
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 |