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

Target

Families : Fragment-147 ligand of proteins in family
Pectinacetylesterase-Notum

Structure :
7B8C

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 :
PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060
PubMedID: 35731924
Gene_locus related to this paper: human-NOTUM