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CHEMBL4289712

General

Type : Triazol,Pyridine

Chemical_Nomenclature : [(6S)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone

Canonical SMILES : C1CN(C(C=C1)COCC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI : InChI=1S\/C28H26N4O2\/c33-28(31-18-8-7-13-26(31)21-34-20-22-9-3-1-4-10-22)32-19-27(29-30-32)25-16-14-24(15-17-25)23-11-5-2-6-12-23\/h1-7,9-17,19,26H,8,18,20-21H2\/t26-\/m0\/s1

InChIKey : HBMARIDCNFKNPH-SANMLTNESA-N

Other name(s) :

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MW : 450.5

Formula : C28H26N4O2

CAS_number :

PubChem : 145988650

UniChem : HBMARIDCNFKNPH-SANMLTNESA-N

Target

Families : CHEMBL4289712 ligand of proteins in family
ABHD6-Lip

Protein :
human-ABHD6

References (1)

1. Chiral disubstituted piperidinyl ureas: a class of dual diacylglycerol lipase-alpha and ABHD6 inhibitors

Title : Chiral disubstituted piperidinyl ureas: a class of dual diacylglycerol lipase-alpha and ABHD6 inhibitors - Deng_2017_Medchemcomm_8_982

Author(s) : Deng H , van der Wel T , van den Berg R , van den Nieuwendijk A , Janssen FJ , Baggelaar MP , Overkleeft HS , van der Stelt M

Ref : Medchemcomm , 8 :982 , 2017

Abstract : Deng_2017_Medchemcomm_8_982

ESTHER : Deng_2017_Medchemcomm_8_982

PubMedSearch : Deng_2017_Medchemcomm_8_982

PubMedID: 30108813

Gene_locus related to this paper: human-ABHD6

Array
(
    [id] => 645
    [inhibitor] => CHEMBL4289712
    [type] => Array
        (
            [0] => Triazol
            [1] => Pyridine
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => [(6S)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone
    [formula] => C28H26N4O2
    [cas_number] => 
    [mw] => 450.5
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Deng_2017_Medchemcomm_8_982
    [comment] => 
    [gene_locus] => human-ABHD6
    [kin_inhibitor] => 
    [cid] => 145988650
    [family] => ABHD6-Lip
    [inchikey] => HBMARIDCNFKNPH-SANMLTNESA-N
    [canonicalsmiles] => C1CN(C(C=C1)COCC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5
    [inchi] => InChI=1S\/C28H26N4O2\/c33-28(31-18-8-7-13-26(31)21-34-20-22-9-3-1-4-10-22)32-19-27(29-30-32)25-16-14-24(15-17-25)23-11-5-2-6-12-23\/h1-7,9-17,19,26H,8,18,20-21H2\/t26-\/m0\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)