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

Target

Families : ML226 ligand of proteins in family
ABHD11-Acetyl_transferase Lipase_3

Protein :
human-ABHD11 human-DAGLA

References (2)

Title : Triazole Ureas Act as Diacylglycerol Lipase Inhibitors and Prevent Fasting-Induced Refeeding - Deng_2017_J.Med.Chem_60_428
Author(s) : 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 , den Dulk H , Cravatt BF , Overkleeft HS , Rensen PC , van der Stelt M
Ref : Journal of Medicinal Chemistry , 60 :428 , 2017
PubMedID: 27992221

Title : Acyl protein thioesterase inhibitors as probes of dynamic S-palmitoylation - Davda_2014_Medchemcomm_5_268
Author(s) : Davda D , Martin BR
Ref : Medchemcomm , 5 :268 , 2014
PubMedID: 25558349
Gene_locus related to this paper: human-LYPLA1