Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: Fragment-077

Inhibitot 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
Stucture | 1 structure: 7B89: Structure of the Wnt deacylase Notum in complex with fragment 077

References:
Search PubMed for references concerning: Fragment-077
    Title: Design of a potent, selective and brain penetrant inhibitor of Wnt-deactivating enzyme Notum by optimization of a crystallographic fragment hit
    Willis NJ, Mahy W, Sipthorp J, Zhao Y, Woodward HL, Atkinson BN, Bayle ED, Svensson F, Frew S and Fish PV <14 more author(s)>
    Ref: Journal of Medicinal Chemistry, :, 2022 : PubMed

            

    Title: Structural Analysis and Development of Notum Fragment Screening Hits
    Zhao Y, Mahy W, Willis NJ, Woodward HL, Steadman D, Bayle ED, Atkinson BN, Sipthorp J, Vecchia L and Jones EY <11 more author(s)>
    Ref: ACS Chem Neurosci, 13:2060, 2022 : PubMed