[3H]AZ11637326   

GtoPdb Ligand ID: 3971

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 25.36
Molecular weight 310.15
XLogP 3.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1cccc(c1)c1cnc2c(c1)CC1(O2)CN2CCC1CC2
Isomeric SMILES Fc1cccc(c1)c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2
InChI InChI=1S/C19H19FN2O/c20-17-3-1-2-13(9-17)15-8-14-10-19(23-18(14)21-11-15)12-22-6-4-16(19)5-7-22/h1-3,8-9,11,16H,4-7,10,12H2/t19-/m0/s1
InChI Key MRVNNESNVNUKCV-IBGZPJMESA-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 Agonist Full agonist 9.6 pKd - 1
pKd 9.6 (Kd 2.3x10-10 M) (α7)5 [1]