aripiprazole

Ligand id: 34

Name: aripiprazole

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 44.81
Molecular weight 447.15
XLogP 4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Allen JA, Yost JM, Setola V, Chen X, Sassano MF, Chen M, Peterson S, Yadav PN, Huang XP, Feng B et al.. (2011)
Discovery of β-arrestin-biased dopamine D2 ligands for probing signal transduction pathways essential for antipsychotic efficacy.
Proc. Natl. Acad. Sci. U.S.A.108 (45): 18488-93. [PMID:22025698]
2. 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]
3. Lawler CP, Prioleau C, Lewis MM, Mak C, Jiang D, Schetz JA, Gonzalez AM, Sibley DR, Mailman RB. (1999)
Interactions of the novel antipsychotic aripiprazole (OPC-14597) with dopamine and serotonin receptor subtypes.
Neuropsychopharmacology20: 612-627. [PMID:10327430]
4. Schetz JA, Benjamin PS, Sibley DR. (2000)
Nonconserved residues in the second transmembrane-spanning domain of the D(4) dopamine receptor are molecular determinants of D(4)-selective pharmacology.
Mol Pharmacol57: 144-152. [PMID:10617689]
5. Shapiro DA, Renock S, Arrington E, Chiodo LA, Liu LX, Sibley DR, Roth BL, Mailman R. (2003)
Aripiprazole, a novel atypical antipsychotic drug with a unique and robust pharmacology.
Neuropsychopharmacology28: 1400-1411. [PMID:12784105]
6. Zajdel P, Marciniec K, Maślankiewicz A, Grychowska K, Satała G, Duszyńska B, Lenda T, Siwek A, Nowak G, Partyka A et al.. (2013)
Antidepressant and antipsychotic activity of new quinoline- and isoquinoline-sulfonamide analogs of aripiprazole targeting serotonin 5-HT₁A/5-HT₂A/5-HT₇ and dopamine D₂/D₃ receptors.
Eur J Med Chem60: 42-50. [PMID:23279866]