quetiapine

Ligand id: 50

Name: quetiapine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 73.6
Molecular weight 383.17
XLogP 3.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1997))
IUPAC Name
2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
International Nonproprietary Names
INN number INN
7467 quetiapine
Synonyms
Seroquel® | ZM-204636
Comments
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).
Database Links
BindingDB Ligand 50095890
CAS Registry No. 111974-69-7
ChEBI CHEBI:8707
ChEMBL Ligand CHEMBL716
DrugBank Ligand DB01224
GtoPdb PubChem SID 135650869
PubChem CID 5002
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Wikipedia Quetiapine