CHEMBL3585776

compound 18 in Akincioglu et al. 2015. Ki 4.5 +/- 0.61 pM inhibits also carbonic anhydrase isoenzymes I and II

General

Type : Carbamate,Sulfur Compound,Sulfonamide

Chemical_Nomenclature : benzyl N-[1-(4-methoxyphenyl)ethylsulfamoyl]carbamate

Canonical SMILES : CC(C1=CC=C(C=C1)OC)NS(=O)(=O)NC(=O)OCC2=CC=CC=C2

InChI : InChI=1S\/C17H20N2O5S\/c1-13(15-8-10-16(23-2)11-9-15)18-25(21,22)19-17(20)24-12-14-6-4-3-5-7-14\/h3-11,13,18H,12H2,1-2H3,(H,19,20)

InChIKey : GIRLQTWFPQINCE-UHFFFAOYSA-N

Other name(s) : BDBM50093588,N-[1-(4-Methoxyphenyl)ethyl]sulfamoylcarbamic acid benzyl ester


MW : 364.4

Formula : C17H20N2O5S

CAS_number :

PubChem : 122179857

UniChem : GIRLQTWFPQINCE-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : CHEMBL3585776 ligand of proteins in family: ACHE

Stucture :

Protein : human-ACHE

References (1)

Title : Discovery of potent carbonic anhydrase and acetylcholine esterase inhibitors: novel sulfamoylcarbamates and sulfamides derived from acetophenones - Akincioglu_2015_Bioorg.Med.Chem_23_3592
Author(s) : Akincioglu A , Akincioglu H , Gulcin I , Durdagi S , Supuran CT , Goksu S
Ref : Bioorganic & Medicinal Chemistry , 23 :3592 , 2015
Abstract : Akincioglu_2015_Bioorg.Med.Chem_23_3592
ESTHER : Akincioglu_2015_Bioorg.Med.Chem_23_3592
PubMedSearch : Akincioglu_2015_Bioorg.Med.Chem_23_3592
PubMedID: 25921269