dihydroergotamine

Ligand id: 121

Name: dihydroergotamine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 118.21
Molecular weight 583.28
XLogP 4.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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Cloning of a novel human serotonin receptor (5-HT7) positively linked to adenylate cyclase.
J Biol Chem268: 23422-23426. [PMID:8226867]
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Identification of residues in transmembrane regions III and VI that contribute to the ligand binding site of the serotonin 5-HT6 receptor.
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Primary structure and functional characterization of a human 5-HT1D-type serotonin receptor.
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Agonistic properties of alniditan, sumatriptan and dihydroergotamine on human 5-HT1B and 5-HT1D receptors expressed in various mammalian cell lines.
Br J Pharmacol123: 1655-1665. [PMID:9605573]
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Alniditan, a new 5-hydroxytryptamine1D agonist and migraine-abortive agent: ligand-binding properties of human 5-hydroxytryptamine1D alpha, human 5-hydroxytryptamine1D beta, and calf 5-hydroxytryptamine1D receptors investigated with [3H]5-hydroxytryptamine and [3H]alniditan.
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Cloning and expression of a novel serotonin receptor with high affinity for tricyclic psychotropic drugs.
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8. Parker EM, Izzarelli DG, Lewis-Higgins L, Palmer D, Shapiro RA. (1996)
Two amino acid differences in the sixth transmembrane domain are partially responsible for the pharmacological differences between the 5-HT1D beta and 5-HT1E 5-hydroxytryptamine receptors.
J Neurochem67: 2096-2103. [PMID:8863519]
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Molecular cloning, characterization, and localization of a high-affinity serotonin receptor (5-HT7) activating cAMP formation.
Proc Natl Acad Sci U S A90: 8547-8551. [PMID:8397408]
10. Wainscott DB, Krushinski JH, Audia JE, Schaus JM, Zgombick JM, Lucaites VL, Nelson DL. (2005)
[3H]LY334370, a novel radioligand for the 5-HT1F receptor. I. In vitro characterization of binding properties.
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