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
Stucture :
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 |
| Abstract : Deng_2017_J.Med.Chem_60_428 |
| ESTHER : Deng_2017_J.Med.Chem_60_428 |
| PubMedSearch : Deng_2017_J.Med.Chem_60_428 |
| 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 |
| Abstract : Davda_2014_Medchemcomm_5_268 |
| ESTHER : Davda_2014_Medchemcomm_5_268 |
| PubMedSearch : Davda_2014_Medchemcomm_5_268 |
| PubMedID: 25558349 |