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AKOS021877793

General

Type : Triazol, Oxadiazol

Chemical_Nomenclature : 5-(3,4-dimethoxyphenyl)-3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole

Canonical SMILES : CC1=C(N=NN1CC2=CC(=CC=C2)F)C3=NOC(=N3)C4=CC(=C(C=C4)OC)OC

InChI : InChI=1S\/C20H18FN5O3\/c1-12-18(23-25-26(12)11-13-5-4-6-15(21)9-13)19-22-20(29-24-19)14-7-8-16(27-2)17(10-14)28-3\/h4-10H,11H2,1-3H3

InChIKey : NGSCUBGAXIKYJL-UHFFFAOYSA-N

Other name(s) : 5-(3,4-dimethoxyphenyl)-3-(1-(3-fluorobenzyl)-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole  ||  5-(3,4-dimethoxyphenyl)-3-{1-[(3-fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole  ||  Compound 3  ||  AKOS021877793

MW : 395.4

Formula : C20H18FN5O3

CAS_number : 1251607-90-5

PubChem : 49666919

UniChem : NGSCUBGAXIKYJL-UHFFFAOYSA-N

Target

Families : AKOS021877793 ligand of proteins in family
Carboxylesterase Carb_B_Chordata

Protein :
human-CES2

References (1)

Title : Tight-Binding Small-Molecule Carboxylesterase 2 Inhibitors Reduce Intracellular Irinotecan Activation - Kailass_2024_J.Med.Chem__
Author(s) : Kailass K , Casalena D , Jenane L , McEdwards G , Auld DS , Sadovski O , Kaye EG , Hudson E , Nettleton D , Currie MA , Beharry AA
Ref : Journal of Medicinal Chemistry , : , 2024
Abstract :
PubMedSearch : Kailass_2024_J.Med.Chem__
PubMedID: 38265364
Gene_locus related to this paper: human-CES2