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GtoPdb Ligand ID: 153

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES COc1cc(I)c(cc1CC(N)C)OC
Isomeric SMILES COc1cc(I)c(cc1C[C@@H](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/t7-/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2A receptor Hs Agonist Full agonist 9.0 pKi - 1
pKi 9.0 [1]
5-HT2C receptor Hs Agonist Full agonist 8.1 pKi - 1
pKi 8.1 [1]
5-HT2B receptor Hs Agonist Full agonist 7.6 pKi - 1
pKi 7.6 [1]