iloperidone

Ligand id: 87

Name: iloperidone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 64.8
Molecular weight 426.2
XLogP 4.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Kalkman HO, Subramanian N, Hoyer D. (2001)
Extended radioligand binding profile of iloperidone: a broad spectrum dopamine/serotonin/norepinephrine receptor antagonist for the management of psychotic disorders.
Neuropsychopharmacology25: 904-914. [PMID:11750183]
2. Kongsamut S, Roehr JE, Cai J, Hartman HB, Weissensee P, Kerman LL, Tang L, Sandrasagra A. (1996)
Iloperidone binding to human and rat dopamine and 5-HT receptors.
Eur J Pharmacol317: 417-423. [PMID:8997630]
3. Meltzer HY, Matsubara S, Lee JC. (1989)
The ratios of serotonin2 and dopamine2 affinities differentiate atypical and typical antipsychotic drugs.
Psychopharmacol Bull25 (3): 390-2. [PMID:2576319]
4. Strupczewski JT, Bordeau KJ, Chiang Y, Glamkowski EJ, Conway PG, Corbett R, Hartman HB, Szewczak MR, Wilmot CA, Helsley GC. (1995)
3-[[(Aryloxy)alkyl]piperidinyl]-1,2-benzisoxazoles as D2/5-HT2 antagonists with potential atypical antipsychotic activity: antipsychotic profile of iloperidone (HP 873).
J. Med. Chem.38 (7): 1119-31. [PMID:7707315]