methylergonovine

Ligand id: 150

Name: methylergonovine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 68.36
Molecular weight 339.19
XLogP 1.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Adham N, Kao HT, Schecter LE, Bard J, Olsen M, Urquhart D, Durkin M, Hartig PR, Weinshank RL, Branchek TA. (1993)
Cloning of another human serotonin receptor (5-HT1F): a fifth 5-HT1 receptor subtype coupled to the inhibition of adenylate cyclase.
Proc Natl Acad Sci U S A90: 408-412. [PMID:8380639]
2. Dukat M, Smith C, Herrick-Davis K, Teitler M, Glennon RA. (2004)
Binding of tryptamine analogs at h5-HT1E receptors: a structure-affinity investigation.
Bioorg Med Chem12: 2545-2552. [PMID:15110837]
3. Knight AR, Misra A, Quirk K, Benwell K, Revell D, Kennett G, Bickerdike M. (2004)
Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.
Naunyn Schmiedebergs Arch Pharmacol370: 114-123. [PMID:15322733]
4. Rothman RB, Baumann MH, Savage JE, Rauser L, McBride A, Hufeisen SJ, Roth BL. (2000)
Evidence for possible involvement of 5-HT(2B) receptors in the cardiac valvulopathy associated with fenfluramine and other serotonergic medications.
Circulation102: 2836-2841. [PMID:11104741]