Fragment-065
Not inhibitor of Notum Compound 4 Fragment 065 IC50 54+/-16 microM
General
Type : Fragment inhibitor of Notum, Benzimidazole
Chemical_Nomenclature : [4-(benzimidazol-1-yl)phenyl]methanol
Canonical SMILES : C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)CO
InChI : InChI=1S\/C14H12N2O\/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16\/h1-8,10,17H,9H2
InChIKey : IRZKUEWQJPIBJF-UHFFFAOYSA-N
Other name(s) : Fragment 065 || Compound 4 || JFS || [4-(1H-1,3-benzimidazol-1-yl)phenyl]methanol || [4-(1H-benzimidazol-1-yl)phenyl]methanol || (4-(1H-Benzo[d]imidazol-1-yl)phenyl)methanol || [4-(1H-1,3-benzodiazol-1-yl)phenyl]methanol || SCHEMBL12970574 || ZINC168836
MW : 224.26
Formula : C14H12N2O
CAS_number : 451485-67-9
PubChem : 2763828
UniChem : IRZKUEWQJPIBJF-UHFFFAOYSA-N
Target
Families : Fragment-065 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B84
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 : |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |