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Inhibitor Report for: ML226

Inhibitor of ABHD11 (complete inactivation at 10 nM) and no cross-reactivity with APEH, PAFAH2, or other SHs at 100 nM; IC50 0.03 micro M ABHD11; IC50 0.0631 micro M ABHD11 DAGLA diacylglycerol lipase alpha (2-(methoxymethyl)-piperidine is AA44-2, 2-(ethyl)-piperidie is ML-226) ABHD11 - abhydrolase domain containing 11 (human) IC50 0.03 microM DAGLA - diacylglycerol lipase alpha (human) IC50 0.0631 microM


General
Type Triazol, Piperidine
Chemical_Nomenclature (2-ethylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
Canonical SMILES CCC1CCCCN1C(=O)N2N=CC(=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI InChI=1S/C23H26N4O2/c1-2-20-15-9-10-16-26(20)22(28)27-24-17-21(25-27)23(29,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,29H,2,9-10,15-16H2,1H3
InChIKey DGRUIUDIVFCWMX-UHFFFAOYSA-N
Other name(s) Compound 25 ; ML-226 ; AA44-2 ; CHEMBL1891894 ; (2-ethyl-1-piperidinyl)[4-(hydroxydiphenylmethyl)-2H-1,2,3-triazol-2-yl]-methanone
________________________________________________________________________________________________
MW|390.5
Formula|C23H26N4O2
CAS_number|2055172-43-3
PubChem|56593112
UniChem|DGRUIUDIVFCWMX-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | ML226 ligand of proteins in family: ABHD11-Acetyl_transferase, Lipase_3
Protein | human-ABHD11, human-DAGLA

References:
Search PubMed for references concerning: ML226
    Title: Triazole Ureas Act as Diacylglycerol Lipase Inhibitors and Prevent Fasting-Induced Refeeding
    Deng H, Kooijman S, van den Nieuwendijk AM, Ogasawara D, van der Wel T, van Dalen F, Baggelaar MP, Janssen FJ, van den Berg RJ and van der Stelt M <4 more author(s)>
    Ref: Journal of Medicinal Chemistry, 60:428, 2017 : PubMed

            

    Title: Acyl protein thioesterase inhibitors as probes of dynamic S-palmitoylation
    Davda D, Martin BR
    Ref: Medchemcomm, 5:268, 2014 : PubMed