[3H]8-OH-DPAT   

GtoPdb Ligand ID: 31

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 247.19
XLogP 3.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCN(C1CCc2c(C1)c(O)ccc2)CCC
Isomeric SMILES CCCN(C1CCc2c(C1)c(O)ccc2)CCC
InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
InChI Key ASXGJMSKWNBENU-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
5-HT1D receptor Hs Agonist Full agonist 9.0 pKd - 3
pKd 9.0 (Kd 1x10-9 M) [3]
5-HT1B receptor Hs Agonist Full agonist 8.9 pKd - 3
pKd 8.9 [3]
5-HT1A receptor Hs Agonist Full agonist 6.0 – 9.4 pKd - 1-4
pKd 6.0 – 9.4 (Kd 1x10-6 – 3.98x10-10 M) [1-4]