Fragment-276
Not inhibitor of Notum. Compound 22 Fragment 276 IC50 93+/-7 microM
General
Type : Fragment inhibitor of Notum, Sulfur Compound, Thiadiazol
Chemical_Nomenclature : 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
Canonical SMILES : CCOC1=CC=CC(=C1)C2=NN=C(S2)N
InChI : InChI=1S\/C10H11N3OS\/c1-2-14-8-5-3-4-7(6-8)9-12-13-10(11)15-9\/h3-6H,2H2,1H3,(H2,11,13)
InChIKey : APEORNRUGDLVDP-UHFFFAOYSA-N
Other name(s) : Fragment 276 || Compound 22 || T2H || CBMicro_010851 || Cambridge id 6079840 || Oprea1_212165 || Oprea1_803998 || SCHEMBL20703807 || ZINC449195
MW : 221.28
Formula : C10H11N3OS
CAS_number :
PubChem : 879253
UniChem : APEORNRUGDLVDP-UHFFFAOYSA-N
Target
Families : Fragment-276 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B8Y
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 |