Type : Fragment inhibitor of Notum,Sulfur Compound,Quinazoline
Chemical_Nomenclature : 3-quinazolin-4-ylsulfanylpropanoic acid
Canonical SMILES : C1=CC=C2C(=C1)C(=NC=N2)SCCC(=O)O
InChI : InChI=1S\/C11H10N2O2S\/c14-10(15)5-6-16-11-8-3-1-2-4-9(8)12-7-13-11\/h1-4,7H,5-6H2,(H,14,15)
InChIKey : WQTFNWOAHQIRIR-UHFFFAOYSA-N
Other name(s) : 3-(Quinazolin-4-ylthio)propanoic acid,3-quinazolin-4-ylthiopropanoic acid,3-(quinazolin-4-ylsulfanyl)propanoic acid,fragment_50,U58
MW : 234.28
Formula : C11H10N2O2S
CAS_number : 340740-10-5
PubChem : 723893
UniChem : WQTFNWOAHQIRIR-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Families : 3-(Quinazolin-4-ylthio)propanoic-acid ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BNB Human Notum comlexed with fragment_50 (3-(quinazolin-4-ylsulfanyl)propanoic acid)
Protein : human-NOTUM
No reference