[125I]DOI

Ligand id: 169

Name: [125I]DOI    

Structure and Physico-chemical Properties

2D Structure
Calculated 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 2.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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 Chem43: 4701-4710. [PMID:11101361]
2. Fitzgerald LW, Conklin DS, Krause CM, Marshall AP, Patterson JP, Tran DP, Iyer G, Kostich WA, Largent BL, Hartig PR. (1999)
High-affinity agonist binding correlates with efficacy (intrinsic activity) at the human serotonin 5-HT2A and 5-HT2C receptors: evidence favoring the ternary complex and two-state models of agonist action.
J Neurochem72: 2127-2134. [PMID:10217294]