Fragment-784
Not inhibitor of Notum. Compound 42 Fragment 784 IC50 >1000 microM
General
Type : Fragment inhibitor of Notum
Chemical_Nomenclature : N-(2-hydroxy-4-methylphenyl)propanamide
Canonical SMILES : CCC(=O)NC1=C(C=C(C=C1)C)O
InChI : InChI=1S\/C10H13NO2\/c1-3-10(13)11-8-5-4-7(2)6-9(8)12\/h4-6,12H,3H2,1-2H3,(H,11,13)
InChIKey : VFXXPGGIPBIYCC-UHFFFAOYSA-N
Other name(s) : Fragment 784 || GVV || SCHEMBL6838424 || ZINC1017099 || AKOS008935137 || MCULE-7588356475 || Compound 42
MW : 179.22
Formula : C10H13NO2
CAS_number :
PubChem : 1234600
UniChem : VFXXPGGIPBIYCC-UHFFFAOYSA-N
Target
Families : Fragment-784 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7BCI
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 |