N-desalkylquetiapine   Click here for help

GtoPdb Ligand ID: 7545

Synonyms: norquetiapine
Compound class: Synthetic organic
Comment: N-desalkylquetiapine is an active metabolite of the antidepressant quetiapine. N-desalkylquetiapine is approximately 100-fold more potent than quetiapine in inhibition of the norepinephrine reuptake transporter (NET) [1-2]. This acts to increase dopamine levels in the frontal cortex and adds to the compound's antidepressant effect [1,3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 52.93
Molecular weight 295.11
XLogP 3.61
No. Lipinski's rules broken 0
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Canonical SMILES N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2
Isomeric SMILES N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2
InChI InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2