JNJ1930942   

GtoPdb Ligand ID: 3966

Synonyms: JNJ-1930942
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 86.28
Molecular weight 369.06
XLogP 2.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCc1sc(nc1c1ccncc1)Nc1ccc(c(c1)C(F)(F)F)F
Isomeric SMILES OCc1sc(nc1c1ccncc1)Nc1ccc(c(c1)C(F)(F)F)F
InChI InChI=1S/C16H11F4N3OS/c17-12-2-1-10(7-11(12)16(18,19)20)22-15-23-14(13(8-24)25-15)9-3-5-21-6-4-9/h1-7,24H,8H2,(H,22,23)
InChI Key JBSVHWCIKVSTTH-UHFFFAOYSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
nicotinic acetylcholine receptor α7 subunit Hs Allosteric modulator Positive - - - 1
(α7)5:Type 1/2 [1]