SA-57   Click here for help

GtoPdb Ligand ID: 11815

Synonyms: SA57
Compound class: Synthetic organic
Comment: SA-57 is an inhibitor of fatty acid amide hydrolase (FAAH) [1]. Off-target inhibition of monoacylglycerol lipase (MAGL) and αβ-Hydrolase 6 (ABHD6) can occur.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 58.64
Molecular weight 338.14
XLogP 3.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)COC(=O)N1CCC(CC1)CCc1ccc(cc1)Cl
Isomeric SMILES Clc1ccc(cc1)CCC1CCN(C(=O)OCC(=O)NC)CC1
InChI InChI=1S/C17H23ClN2O3/c1-19-16(21)12-23-17(22)20-10-8-14(9-11-20)3-2-13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,19,21)
InChI Key JFSSVCSHPDLFCM-UHFFFAOYSA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Fatty acid amide hydrolase Hs Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 1.9x10-9 M) [1]
Fatty acid amide hydrolase Mm Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3.2x10-9 M) [1]
Monoacylglycerol lipase Mm Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 4.1x10-7 M) [1]
αβ-Hydrolase 6 Mm Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.5x10-7 M) [1]
Monoacylglycerol lipase Hs Inhibitor Inhibition 5.8 pIC50 - 1
pIC50 5.8 (IC50 1.4x10-6 M) [1]