JNJ40355003   Click here for help

GtoPdb Ligand ID: 9050

Synonyms: compound 23 [PMID: 24900385] [1] | JNJ-40355003 [1]
Compound class: Synthetic organic
Comment: JNJ40355003 is a potent, selective and irreversible inhibitor of fatty acid amide hydrolase (FAAH) [1].
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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 7
Topological polar surface area 57.7
Molecular weight 422.15
XLogP 3.26
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1
Isomeric SMILES Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1
InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
Bioactivity Comments
JNJ40355003 is reported to have good physical and pharmacokinetic properties. Oral administration increases levels of anandamide (AEA), N-palmitoylethanolamine (PEA), and N-oleoylethanolamide (OEA) in rats, dogs and monkeys indicatinf inhibition of FAAH activity [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 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.4x10-9 M) [1]
Fatty acid amide hydrolase Rn Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.3x10-8 M) [1]