Fragment-282
Not inhibitor of Notum. Compound 24 Fragment 282 IC50 12+/-3.2 microM. CID:40475674 is the azanium ion and CID:2764165 is the amine
General
Type : Fragment inhibitor of Notum
Chemical_Nomenclature : (3-phenyl-1,2-oxazol-5-yl)methylazanium
Canonical SMILES : C1=CC=C(C=C1)C2=NOC(=C2)CN || C1=CC=C(C=C1)C2=NOC(=C2)C[NH3+]
InChI : InChI=1S\/C10H10N2O\/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8\/h1-6H,7,11H2 || InChI=1S\/C10H10N2O\/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8\/h1-6H,7,11H2\/p+1
InChIKey : AQZLTCXQTOKUAA-UHFFFAOYSA-N || AQZLTCXQTOKUAA-UHFFFAOYSA-O
Other name(s) : Fragment 282 || compound 24 || EJW || (3-phenyl-1,2-oxazol-5-yl)methylazanium || (3-phenyl-5-isoxazolyl)methanamine || (3-phenylisoxazol-5-yl)methanamine || (3-phenyl-1,2-oxazol-5-yl)methanamine || 5-Aminomethyl-3-phenylisoxazole || SCHEMBL2123479 || ZINC169750
MW : 175.21 || 174.20
Formula : C10H11N2O+ || C10H10N2O
CAS_number : 54408-35-4
UniChem : AQZLTCXQTOKUAA-UHFFFAOYSA-N, AQZLTCXQTOKUAA-UHFFFAOYSA-O
Target
Families : Fragment-282 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B98
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 |