[125I]DOI   

GtoPdb Ligand ID: 169

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.48
Molecular weight 321.02
XLogP 2.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc(I)c(cc1CC(N)C)OC
Isomeric SMILES COc1cc([125I])c(cc1CC(N)C)OC
InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/i12-2
InChI Key BGMZUEKZENQUJY-DACUFJSSSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2A receptor Rn Agonist Full agonist 9.1 pKd - 1
pKd 9.1 [1]
5-HT2C receptor Rn Agonist Full agonist 9.1 pKd - 1
pKd 9.1 [1]
5-HT2C receptor Hs Agonist Full agonist 8.7 – 9.0 pKd - 2
pKd 8.7 – 9.0 (Kd 2x10-9 – 1.1x10-9 M) [2]
5-HT2B receptor Hs Agonist Full agonist 7.6 – 7.7 pKd -
pKd 7.6 – 7.7 (Kd 2.5x10-8 – 2x10-8 M)