PD168,077   

GtoPdb Ligand ID: 975

Synonyms: PD 168077 | PD-168,077 | PD168077
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 59.37
Molecular weight 334.18
XLogP 3.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C
Isomeric SMILES N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C
InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
InChI Key DNULYRGWTFLJQL-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
D4 receptor Rn Agonist Partial agonist 8.8 pKi - 1
pKi 8.8 (Ki 1.58x10-9 M) [1]