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
IUPHAR :
Wikipedia :
Target
Families : AKOS021877793 ligand of proteins in family: Carboxylesterase || Carb_B_Chordata
Stucture :
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 : Kailass_2024_J.Med.Chem__ |
| ESTHER : Kailass_2024_J.Med.Chem__ |
| PubMedSearch : Kailass_2024_J.Med.Chem__ |
| PubMedID: 38265364 |
| Gene_locus related to this paper: human-CES2 |