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3. (S)Aporphine-N-benzylpyridinium

(S)Aporphine-N-benzylpyridinium

2-chlorobenzylpyridinium-containing aporphine was the most potent inhibitor in this study with an IC50 value of 0.06 +/- 0.003 microM

General

Type : Isoquinoline,Alkaloid

Chemical_Nomenclature :

Canonical SMILES : C12=CC=CC=C1CC4C3=C2C(=C(C=C3CCN4C(C5=CC=[N+](C=C5)CC6=CC=CC=C6Cl)=O)OC)OC.[Br-]

InChI : InChI=1S\/C31H28ClN2O3.BrH\/c1-36-27-18-22-13-16-34(26-17-21-7-3-5-9-24(21)29(28(22)26)30(27)37-2)31(35)20-11-14-33(15-12-20)19-23-8-4-6-10-25(23)32\;\/h3-12,14-15,18,26H,13,16-17,19H2,1-2H3\;1H\/q+1\;\/p-1

InChIKey : NFRXZIOVKXQHSF-UHFFFAOYSA-M

Other name(s) :

---

MW : 591.93

Formula : C31H28BrClN2O3

CAS_number :

PubChem :

UniChem : NFRXZIOVKXQHSF-UHFFFAOYSA-M

Target

References

No reference

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(
    [id] => 384
    [inhibitor] => (S)Aporphine-N-benzylpyridinium
    [type] => Array
        (
            [0] => Isoquinoline
            [1] => Alkaloid
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 
    [formula] => C31H28BrClN2O3
    [cas_number] => 
    [mw] => 591.93
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => 
    [comment] => 2-chlorobenzylpyridinium-containing aporphine was the most potent inhibitor in this study with an IC50 value of 0.06 +\/- 0.003 microM
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 
    [family] => 
    [inchikey] => NFRXZIOVKXQHSF-UHFFFAOYSA-M
    [canonicalsmiles] => C12=CC=CC=C1CC4C3=C2C(=C(C=C3CCN4C(C5=CC=[N+](C=C5)CC6=CC=CC=C6Cl)=O)OC)OC.[Br-]
    [inchi] => InChI=1S\/C31H28ClN2O3.BrH\/c1-36-27-18-22-13-16-34(26-17-21-7-3-5-9-24(21)29(28(22)26)30(27)37-2)31(35)20-11-14-33(15-12-20)19-23-8-4-6-10-25(23)32\;\/h3-12,14-15,18,26H,13,16-17,19H2,1-2H3\;1H\/q+1\;\/p-1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)