ASP8477   Click here for help

GtoPdb Ligand ID: 10248

Compound class: Synthetic organic
Comment: ASP8477 is a small molecule, orally active inhibitor of the fatty acid amide hydrolase enzymes FAAH and FAAH-2, that is active in vitro and in vivo [1]. Experimental evidence indicates that it produces CNS-driven analgesia.
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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 6
Topological polar surface area 71.53
Molecular weight 325.14
XLogP 1.61
No. Lipinski's rules broken 0
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Canonical SMILES O=C(C1CCN(CC1)C(=O)Oc1cccnc1)Nc1ccccc1
Isomeric SMILES O=C(C1CCN(CC1)C(=O)Oc1cccnc1)Nc1ccccc1
InChI InChI=1S/C18H19N3O3/c22-17(20-15-5-2-1-3-6-15)14-8-11-21(12-9-14)18(23)24-16-7-4-10-19-13-16/h1-7,10,13-14H,8-9,11-12H2,(H,20,22)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Fatty acid amide hydrolase Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 3.99x10-9 M) [1]
Fatty acid amide hydrolase-2 Hs Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 5.73x10-8 M) [1]