Fragment-923
Not inhibitor of Notum. Compound 54 Fragment 923 IC50 78+/-8.2 microM
General
Type : Fragment inhibitor of Notum,Tetrazol
Chemical_Nomenclature : 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine
Canonical SMILES : CC1=CC=CC=C1CNC2=NN=NN2C
InChI : InChI=1S\/C10H13N5\/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2\/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKey : CHQPGTNAKZDALZ-UHFFFAOYSA-N
Other name(s) : Fragment 923,Compound 54,WNA,1-methyl-N-(2-methylbenzyl)-1H-tetrazol-5-amine,1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine,MLS000676070,CHEMBL1450237,ZINC360580
MW : 203.24
Formula : C10H13N5
CAS_number :
PubChem : 834605
UniChem : CHQPGTNAKZDALZ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-923 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BDC Structure of the human Wnt deacylase Notum in complex with fragment 923
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 |