Fragment-210
Not inhibitor of Notum. Compound 21 Fragment 210 IC50 930+/-69 microM
General
Type : Fragment inhibitor of Notum
Chemical_Nomenclature : N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine
Canonical SMILES : CC1=CC=C(O1)CN(C)CC2=CC=CC=C2 || Cc1ccc(o1)CN(C)Cc2ccccc2
InChI : InChI=1S\/C14H17NO\/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13\/h3-9H,10-11H2,1-2H3
InChIKey : PLXKOSIEYNAHBU-UHFFFAOYSA-N
Other name(s) : Fragment 210 || compound 21 || U3K || benzyl(methyl)[(5-methylfuran-2-yl)methyl]amine || N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine || Cambridge id 5424645 || Oprea1_220737 || ZINC278104 || ~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine
MW : 215.29
Formula : C14H17NO
CAS_number : 415930-18-6
PubChem : 782822
UniChem : PLXKOSIEYNAHBU-UHFFFAOYSA-N
Target
Families : Fragment-210 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B8X
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 |