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
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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
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
Selectivity at GPCRs
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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]