Fragment-772
Not inhibitor of Notum. Compound 41 Fragment 772 IC50 68+/-5.4 microM
General
Type : Fragment inhibitor of Notum
Chemical_Nomenclature : N-benzyl-2-methoxyacetamide
Canonical SMILES : COCC(=O)NCC1=CC=CC=C1
InChI : InChI=1S\/C10H13NO2\/c1-13-8-10(12)11-7-9-5-3-2-4-6-9\/h2-6H,7-8H2,1H3,(H,11,12)
InChIKey : VLAPGEODGZEQPC-UHFFFAOYSA-N
Other name(s) : Acetamide, 2-methoxy-N-(phenylmethyl)- || N-Benzylmethoxyacetamide || SCHEMBL2719871 || Fragment 772 || Compound 41 || T9Q || ZINC362817
MW : 179.22
Formula : C10H13NO2
CAS_number : 2945-05-3
PubChem : 836024
UniChem : VLAPGEODGZEQPC-UHFFFAOYSA-N
Target
Families : Fragment-772 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7BCH
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 |