JNJ1661010   Click here for help

GtoPdb Ligand ID: 5206

Synonyms: JNJ 1661010 | JNJ-1661010
Compound class: Synthetic organic
Comment: JNJ1661010 is an inhibitor of fatty acid amide hydrolase (FAAH). The apparent IC50 is time-dependent, and binding is slowly reversible due to the formation of a covalent intermediate which is hydrolysed to release the compound [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 89.6
Molecular weight 365.13
XLogP 3.37
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N1CCN(CC1)c1snc(n1)c1ccccc1)Nc1ccccc1
Isomeric SMILES O=C(N1CCN(CC1)c1snc(n1)c1ccccc1)Nc1ccccc1
InChI InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)
Bioactivity Comments
Increasing the compound's preincubation time produces a leftward shift in affinity, increasing IC50 approximately 10-fold from 0-40 minutes preincubation [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Fatty acid amide hydrolase Primary target of this compound Hs Inhibitor Inhibition 7.8 pIC50 - 2
pIC50 7.8 (IC50 1.58x10-8 M) [2]
Fatty acid amide hydrolase-2 Hs Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 5.7x10-6 M) [1]
Description: 20 min preincubation