thioridazine

Ligand id: 100

Name: thioridazine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 57.08
Molecular weight 370.15
XLogP 5.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Herrick-Davis K, Grinde E, Teitler M. (2000)
Inverse agonist activity of atypical antipsychotic drugs at human 5-hydroxytryptamine2C receptors.
J Pharmacol Exp Ther295: 226-232. [PMID:10991983]
2. Kobayashi T, Ikeda K, Kumanishi T. (2000)
Inhibition by various antipsychotic drugs of the G-protein-activated inwardly rectifying K(+) (GIRK) channels expressed in xenopus oocytes.
Br. J. Pharmacol.129 (8): 1716-22. [PMID:10780978]
3. Kongsamut S, Kang J, Chen XL, Roehr J, Rampe D. (2002)
A comparison of the receptor binding and HERG channel affinities for a series of antipsychotic drugs.
Eur J Pharmacol450: 37-41. [PMID:12176106]
4. Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL. (2003)
H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs.
Neuropsychopharmacology28: 519-526. [PMID:12629531]
5. Newman-Tancredi A, Gavaudan S, Conte C, Chaput C, Touzard M, Verriele L, Audinot V, Millan MJ. (1998)
Agonist and antagonist actions of antipsychotic agents at 5-HT1A receptors: a [35S]GTPgammaS binding study.
Eur J Pharmacol355: 245-256. [PMID:9760039]
6. Purohit A, Smith C, Herrick-Davis K, Teitler M. (2005)
Stable expression of constitutively activated mutant h5HT6 and h5HT7 serotonin receptors: inverse agonist activity of antipsychotic drugs.
Psychopharmacology (Berl)179: 461-469. [PMID:15821958]
7. Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ, Shen Y, Meltzer HY, Sibley DR. (1994)
Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors.
J Pharmacol Exp Ther268: 1403-1410. [PMID:7908055]
8. Sunahara RK, Guan HC, O'Dowd BF, Seeman P, Laurier LG, Ng G, George SR, Torchia J, Van Tol HH, Niznik HB. (1991)
Cloning of the gene for a human dopamine D5 receptor with higher affinity for dopamine than D1.
Nature350: 614-619. [PMID:1826762]