Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: ARUK3001043

Inhibitor of Notum. Compound 7y in Willis et al. 7c in Zhao et al. IC50 0.0095+/- 0.0002 microM


General
Type Fragment inhibitor of Notum, Triazol, Trifluoro
Chemical_Nomenclature [1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
Canonical SMILES C1=CC(=C(C=C1N2C=C(N=N2)CO)C(F)(F)F)Cl
InChI InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2
InChIKey MTSIIXPDVHCKBB-UHFFFAOYSA-N
Other name(s) FNW ; (1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol ; {1-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol ; SCHEMBL23451838 ; ZINC52221164
________________________________________________________________________________________________
MW|277.63
Formula|C10H7ClF3N3O
CAS_number|1267621-74-8
PubChem|62401451
UniChem|MTSIIXPDVHCKBB-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | ARUK3001043 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7QVZ: Structure of the human Wnt deacylase Notum in complex with ARUK3001043
Protein | human-NOTUM

References:
Search PubMed for references concerning: ARUK3001043
    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, 65:7212, 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