Fragment-634
Not inhibitor of Notum. Compound 31 Fragment 634 IC50 120+/-30 microM
General
Type : Fragment inhibitor of Notum, Cyanide, Piperidine
Chemical_Nomenclature : 1-acetylpiperidine-4-carbonitrile
Canonical SMILES : CC(=O)N1CCC(CC1)C#N
InChI : InChI=1S\/C8H12N2O\/c1-7(11)10-4-2-8(6-9)3-5-10\/h8H,2-5H2,1H3
InChIKey : NFDGRMQIOHRQHF-UHFFFAOYSA-N
Other name(s) : Fragment 634 || Compound 31 || S1V || 1-acetyl-4-cyanopiperidine || 1-ethanoylpiperidine-4-carbonitrile
MW : 152.19
Formula : C8H12N2O
CAS_number : 25503-91-7
PubChem : 2756286
UniChem : NFDGRMQIOHRQHF-UHFFFAOYSA-N
Target
Families : Fragment-634 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7BA1
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 |