JNJ-42165279   

GtoPdb Ligand ID: 9012

Synonyms: Example 1 [WO2011139951 A1] [3] | JNJ42165279
Compound class: Synthetic organic
Comment: JNJ-42165279 is an investigational, covalent and selective inhibitor of fatty acid amide hydrolase (FAAH) [3]. Preclinical test findings are reported in [2], with the conclusion that the favourable ADME and pharmacodynamic profiles of JNJ-42165279 supported it being progressed to clinical trial.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 66.93
Molecular weight 410.1
XLogP 1.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OC(O2)(F)F)Nc1cnccc1Cl
Isomeric SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OC(O2)(F)F)Nc1cnccc1Cl
InChI InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)
InChI Key YWGYNGCRVZLMCS-UHFFFAOYSA-N

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