[3H]JNJ-40068782   

GtoPdb Ligand ID: 6331

   
Compound class: Synthetic organic
Comment: The position of the radiolabelled hydrogen atom is not specified by the supplier of this compound.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 49.03
Molecular weight 333.18
XLogP 4.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1
Isomeric SMILES N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1
InChI InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2
InChI Key RVRHQHDKALSKLY-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu2 receptor Rn Allosteric modulator Positive 8.0 pKd - 1
pKd 8.0 (Kd 1x10-8 M) [1]
mGlu2 receptor Hs Allosteric modulator Positive 7.9 pKd - 1
pKd 7.9 (Kd 1.2x10-8 M) [1]