UCM 724   Click here for help

GtoPdb Ligand ID: 7773

Synonyms: UCM-724 | UCM724
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 64.35
Molecular weight 296.15
XLogP 2.3
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1ccc2c(c1)C(CNC(=O)N)Cc1c(C2)cccc1
Isomeric SMILES COc1ccc2c(c1)C(CNC(=O)N)Cc1c(C2)cccc1
InChI InChI=1S/C18H20N2O2/c1-22-16-7-6-14-8-12-4-2-3-5-13(12)9-15(17(14)10-16)11-20-18(19)21/h2-7,10,15H,8-9,11H2,1H3,(H3,19,20,21)
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
MT2 receptor Hs Antagonist Antagonist 8.0 pKi - 1
pKi 8.0 [1]
MT1 receptor Hs Antagonist Antagonist 6.9 pKi - 2
pKi 6.9 [2]