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SCHEMBL20516363

IC50 value lower than 100 nM for ABHD6 and between 100 nM and 1 microM for Lp-PLA2 WO-2017059135 patent by Abide Therapeutics, Inc

General

Type : Piperazine,Imidazole,Carbamate,Morpholine

Chemical_Nomenclature : [(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl] 4-[2-chloro-3-(morpholine-4-carbonyl)phenyl]piperazine-1-carboxylate

Canonical SMILES : CC(C)C1C(=O)N(C(=O)N1)OC(=O)N2CCN(CC2)C3=CC=CC(=C3Cl)C(=O)N4CCOCC4

InChI : InChI=1S\/C22H28ClN5O6\/c1-14(2)18-20(30)28(21(31)24-18)34-22(32)27-8-6-25(7-9-27)16-5-3-4-15(17(16)23)19(29)26-10-12-33-13-11-26\/h3-5,14,18H,6-13H2,1-2H3,(H,24,31)\/t18-\/m1\/s1

InChIKey : MAAXHKBCVMPHBI-GOSISDBHSA-N

Other name(s) : SCHEMBL20516418,SCHEMBL20516364

---

MW : 493.9

Formula : C22H28ClN5O6

CAS_number :

PubChem : 135342129

UniChem : MAAXHKBCVMPHBI-GOSISDBHSA-N

Target

Families : SCHEMBL20516363 ligand of proteins in family
ABHD6-Lip PAF-Acetylhydrolase

Protein :
human-ABHD6 human-PLA2G7

References

No reference

Array
(
    [id] => 651
    [inhibitor] => SCHEMBL20516363
    [type] => Array
        (
            [0] => Piperazine
            [1] => Imidazole
            [2] => Carbamate
            [3] => Morpholine
        )

    [other_name] => Array
        (
            [0] => SCHEMBL20516418
            [1] => SCHEMBL20516364
        )

    [chemical_nomenclature] => [(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl] 4-[2-chloro-3-(morpholine-4-carbonyl)phenyl]piperazine-1-carboxylate
    [formula] => C22H28ClN5O6
    [cas_number] => 
    [mw] => 493.9
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => 
    [comment] => IC50 value lower than 100 nM for ABHD6 and between 100 nM and 1 microM for Lp-PLA2 WO-2017059135 patent by Abide Therapeutics, Inc
    [gene_locus] => human-ABHD6 || human-PLA2G7
    [kin_inhibitor] => 
    [cid] => 135342129
    [family] => ABHD6-Lip || PAF-Acetylhydrolase
    [inchikey] => MAAXHKBCVMPHBI-GOSISDBHSA-N
    [canonicalsmiles] => CC(C)C1C(=O)N(C(=O)N1)OC(=O)N2CCN(CC2)C3=CC=CC(=C3Cl)C(=O)N4CCOCC4
    [inchi] => InChI=1S\/C22H28ClN5O6\/c1-14(2)18-20(30)28(21(31)24-18)34-22(32)27-8-6-25(7-9-27)16-5-3-4-15(17(16)23)19(29)26-10-12-33-13-11-26\/h3-5,14,18H,6-13H2,1-2H3,(H,24,31)\/t18-\/m1\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)