quetiapine   Click here for help

GtoPdb Ligand ID: 50

Synonyms: Seroquel® | ZM-204636
Approved drug
quetiapine is an approved drug (FDA (1997))
Compound class: Synthetic organic
Comment: Quetiapine displays affinity for numerous receptors from the dopamine, serotonin and adrenergic families, in addition to the histamine H1 receptor. The anti-psychotic properties of the drug are believed to result from its antagonism of dopamine D2 and 5-HT2A receptors.
Marketed formulations may contain quetiapine fumarate (PubChem CID 5281025) or quetiapine hemifumarate (PubChem CID 73013330).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 73.6
Molecular weight 383.17
XLogP 2.95
No. Lipinski's rules broken 0
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Canonical SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2
Isomeric SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2
InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
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Summary of Clinical Use Click here for help
Used in the treatment of schizophrenia, bipolar I disorder (acute treatment of manic or depressive episodes), and major depressive disorder.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Antagonism of D2 receptors in the mesolimbic pathway relieves the positive symptoms of schizophrenia, while antagonism of 5HT2A receptors in the frontal cortex relieves negative symptoms.
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