Fragment-049-notum-screen
Not inhibitor of Notum IC50 > 1000 microM
General
Type : Urea derivative, Fragment inhibitor of Notum
Chemical_Nomenclature : 1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)urea
Canonical SMILES : CCNC(=O)NC1=NOC(=C1)C
InChI : InChI=1S\/C7H11N3O2\/c1-3-8-7(11)9-6-4-5(2)12-10-6\/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKey : OLTOJZGRSVNYRB-UHFFFAOYSA-N
Other name(s) : N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea || JGA || Urea, N-ethyl-N'-(5-methyl-3-isoxazolyl)- || Oprea1_605443 || SCHEMBL10172936 || ZINC1452383
MW : 169.18
Formula : C7H11N3O2
CAS_number : 55807-55-1
PubChem : 1526575
UniChem : OLTOJZGRSVNYRB-UHFFFAOYSA-N
Target
Families : Fragment-049-notum-screen ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B7W
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 |