Fragment-872
Not inhibitor of Notum. Compound 50 Fragment 872 IC50 36+/-2.7 microM
General
Type : Fragment inhibitor of Notum,Pyridine
Chemical_Nomenclature : (2,5-dimethylphenyl) pyridine-4-carboxylate
Canonical SMILES : CC1=CC(=C(C=C1)C)OC(=O)C2=CC=NC=C2
InChI : InChI=1S\/C14H13NO2\/c1-10-3-4-11(2)13(9-10)17-14(16)12-5-7-15-8-6-12\/h3-9H,1-2H3
InChIKey : MMVMRVVLUMIUAF-UHFFFAOYSA-N
Other name(s) : (2,5-dimethylphenyl) pyridine-4-carboxylate,MLS000550524,QL5,Fragment 872,Compound 50,CHEMBL1456302
MW : 227.26
Formula : C14H13NO2
CAS_number :
PubChem : 821673
UniChem : MMVMRVVLUMIUAF-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-872 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BD8 Structure of the human Wnt deacylase Notum in complex with fragment 872
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 : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| ESTHER : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |