[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
References
1. Blair JB, Kurrasch-Orbaugh D, Marona-Lewicka D, Cumbay MG, Watts VJ, Barker EL, Nichols DE. (2000)
Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines.
J. Med. Chem., 43 (24): 4701-10. [PMID:11101361]
2. Kalipatnapu S, Pucadyil TJ, Harikumar KG, Chattopadhyay A. (2004)
Ligand binding characteristics of the human serotonin1A receptor heterologously expressed in CHO cells.
Biosci. Rep., 24 (2): 101-15. [PMID:15628665]
3. Newman-Tancredi A, Cussac D, Audinot V, Millan MJ. (1999)
Actions of roxindole at recombinant human dopamine D2, D3 and D4 and serotonin 5-HT1A, 5-HT1B and 5-HT1D receptors.
Naunyn Schmiedebergs Arch. Pharmacol., 359 (6): 447-53. [PMID:10431754]
4. Newman-Tancredi A, Verrièle L, Chaput C, Millan MJ. (1998)
Labelling of recombinant human and native rat serotonin 5-HT1A receptors by a novel, selective radioligand, [3H]-S 15535: definition of its binding profile using agonists, antagonists and inverse agonists.
Naunyn Schmiedebergs Arch. Pharmacol., 357 (3): 205-17. [PMID:9550290]