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
Target
Families : ARUK3001043 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7QVZ
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 : |
| 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 : |
| PubMedSearch : Willis_2022_J.Med.Chem_65_7212 |
| PubMedID: 35536179 |
| Gene_locus related to this paper: human-NOTUM |