Fragment-077
Inhibitor of Notum Compound 7 Fragment 077 IC50 0.50+/-0.12 microM
General
Type : Fragment inhibitor of Notum,Triazol
Chemical_Nomenclature : [1-(3,4-dichlorophenyl)triazol-4-yl]methanol
Canonical SMILES : C1=CC(=C(C=C1N2C=C(N=N2)CO)Cl)Cl
InChI : InChI=1S\/C9H7Cl2N3O\/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14\/h1-4,15H,5H2
InChIKey : DMIRTDWEKUNBDX-UHFFFAOYSA-N
Other name(s) : Fragment 077,T1Z,Compound 7,[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methanol,[1-(3,4-dichlorophenyl)triazol-4-yl]methanol,[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol,CHEMBL1823290,SCHEMBL21792045,ZINC1387965
MW : 244.07
Formula : C9H7Cl2N3O
CAS_number : 338419-11-7
PubChem : 1475797
UniChem : DMIRTDWEKUNBDX-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-077 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B89 Structure of the human Wnt deacylase Notum in complex with fragment 077
Protein : human-NOTUM
References (2)
| 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 |
| Title : Design of a potent, selective and brain penetrant inhibitor of Wnt-deactivating enzyme Notum by optimization of a crystallographic fragment hit - Willis_2022_J.Med.Chem_65_7212 |
| Author(s) : Willis NJ , Mahy W , Sipthorp J , Zhao Y , Woodward HL , Atkinson BN , Bayle ED , Svensson F , Frew S , Jeganathan F , Monaghan A , Benvegnu S , Jolly S , Vecchia L , Ruza RR , Kjaer S , Howell SA , Snidjers AP , Bictash M , Salinas PC , Vincent JP , Jones EY , Whiting P , Fish PV |
| Ref : Journal of Medicinal Chemistry , 65 :7212 , 2022 |
| Abstract : Willis_2022_J.Med.Chem_65_7212 |
| ESTHER : Willis_2022_J.Med.Chem_65_7212 |
| PubMedSearch : Willis_2022_J.Med.Chem_65_7212 |
| PubMedID: 35536179 |
| Gene_locus related to this paper: human-NOTUM |