1. Home
2. Inhibitor
3. XEN445

XEN445

IC50 0.237 muM human-LIPG

General

Type : Pyridine,Trifluoro

Chemical_Nomenclature : 2-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid

Canonical SMILES : C1CN(CC1OCC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)C(=O)O

InChI : InChI=1S\/C18H17F3N2O3\/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13\/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)\/t14-\/m0\/s1

InChIKey : NBGRERFNOKZQLO-AWEZNQCLSA-N

Other name(s) : XEN-445,XEN 445,CHEMBL3093392,ZINC103252336

---

MW : 366.3

Formula : C18H17F3N2O3

CAS_number : 1515856-92-4

PubChem : 72736173

UniChem : NBGRERFNOKZQLO-AWEZNQCLSA-N

Target

Families : XEN445 ligand of proteins in family
Lipoprotein_Lipase

Protein :
human-LIPG

References (1)

1. Discovery of XEN445: A potent and selective endothelial lipase inhibitor raises plasma HDL-cholesterol concentration in mice

Title : Discovery of XEN445: A potent and selective endothelial lipase inhibitor raises plasma HDL-cholesterol concentration in mice - Sun_2013_Bioorg.Med.Chem_21_7724

Author(s) : Sun S , Dean R , Jia Q , Zenova A , Zhong J , Grayson C , Xie C , Lindgren A , Samra P , Sojo L , van Heek M , Lin L , Percival D , Fu JM , Winther MD , Zhang Z

Ref : Bioorganic & Medicinal Chemistry , 21 :7724 , 2013

Abstract : Sun_2013_Bioorg.Med.Chem_21_7724

ESTHER : Sun_2013_Bioorg.Med.Chem_21_7724

PubMedSearch : Sun_2013_Bioorg.Med.Chem_21_7724

PubMedID: 24211162

Gene_locus related to this paper: human-LIPG

Array
(
    [id] => 2313
    [inhibitor] => XEN445
    [type] => Array
        (
            [0] => Pyridine
            [1] => Trifluoro
        )

    [other_name] => Array
        (
            [0] => XEN-445
            [1] => XEN 445
            [2] => CHEMBL3093392
            [3] => ZINC103252336
        )

    [chemical_nomenclature] => 2-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
    [formula] => C18H17F3N2O3
    [cas_number] => 1515856-92-4
    [mw] => 366.3
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Sun_2013_Bioorg.Med.Chem_21_7724
    [comment] => IC50 0.237 muM human-LIPG
    [gene_locus] => human-LIPG
    [kin_inhibitor] => 
    [cid] => 72736173
    [family] => Lipoprotein_Lipase
    [inchikey] => NBGRERFNOKZQLO-AWEZNQCLSA-N
    [canonicalsmiles] => C1CN(CC1OCC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)C(=O)O
    [inchi] => InChI=1S\/C18H17F3N2O3\/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13\/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)\/t14-\/m0\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)