Fragment-297
Not inhibitor of Notum. Compound 28 Fragment 297 IC50 54+/-6.2 microM
General
Type : Fragment inhibitor of Notum,Benzodioxo,Pyridine
Chemical_Nomenclature : 1-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
Canonical SMILES : C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC=N3
InChI : InChI=1S\/C14H14N2O2\/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13\/h1-7,15H,8-10H2
InChIKey : KZQVJMBMNZMAGV-UHFFFAOYSA-N
Other name(s) : Fragment 297,Compound 28,T3T,Benzo[1,3]dioxol-5-ylmethyl-pyridin-2-ylmethyl-amine,1-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)methanamine,1-(Benzo[d][1,3]dioxol-5-yl)-N-(pyridin-2-ylmethyl)methanamine,1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine,CHEMBL1340204,ZINC795103
MW : 242.27
Formula : C14H14N2O2
CAS_number : 626210-49-9
PubChem : 1080494
UniChem : KZQVJMBMNZMAGV-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-297 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B9I Structure of the human Wnt deacylase Notum in complex with fragment 297
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 |