Fragment-792
Not inhibitor of Notum. Compound 44 Fragment 792 IC50 410+/-63 microM
General
Type : Fragment inhibitor of Notum, Cyanide
Chemical_Nomenclature : methyl 2-(4-cyanophenoxy)acetate
Canonical SMILES : COC(=O)COC1=CC=C(C=C1)C#N
InChI : InChI=1S\/C10H9NO3\/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9\/h2-5H,7H2,1H3
InChIKey : MAVSETCJUQQWBN-UHFFFAOYSA-N
Other name(s) : methyl (4-cyanophenoxy)acetate || methyl 2-(4-cyanophenoxy)acetate || Acetic acid, (4-cyanophenoxy)-, methyl ester || methyl 2-(4-cyanophenoxy)ethanoate || SCHEMBL2163526 || ZINC1425998 || T9K || Fragment 792 || Compound 44
MW : 191.18
Formula : C10H9NO3
CAS_number : 272792-14-0
PubChem : 1506457
UniChem : MAVSETCJUQQWBN-UHFFFAOYSA-N
Target
Families : Fragment-792 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7BCL
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 |