Fragment-154
Not inhibitor of Notum. Compound 12 Fragment 154 IC50 >1000 microM
General
Type : Fragment inhibitor of Notum,Benzimidazole,Cyanide
Chemical_Nomenclature : 4-(benzimidazol-1-ylmethyl)benzonitrile
Canonical SMILES : C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)C#N
InChI : InChI=1S\/C15H11N3\/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18\/h1-8,11H,10H2
InChIKey : KZMYEQMVROHICO-UHFFFAOYSA-N
Other name(s) : Fragment 154,Fragment-154,Compound 12,RYM,4-(1H-benzimidazol-1-ylmethyl)benzonitrile,4-(benzimidazol-1-ylmethyl)benzenecarbonitrile,4-(1H-1,3-benzodiazol-1-ylmethyl)benzonitrile,Oprea1_707082,SCHEMBL3496995,ZINC419911
MW : 233.27
Formula : C15H11N3
CAS_number : 118001-91-5
PubChem : 863558
UniChem : KZMYEQMVROHICO-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-154 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B8F Structure of the human Wnt deacylase Notum in complex with fragment 154
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 |