desvenlafaxine   Click here for help

GtoPdb Ligand ID: 7158

Synonyms: O-desmethylvenlafaxine (ODV) | Pristiq® | WY-45233
Approved drug
desvenlafaxine is an approved drug (FDA (2008))
Compound class: Synthetic organic
Comment: Desvenlafaxine belongs to the group of serotonin–norepinephrine reuptake inhibitors (SNRIs) which are antidepressants. Desvenlafaxine is the major active metabolite of venlafaxine.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 43.7
Molecular weight 263.19
XLogP 2.51
No. Lipinski's rules broken 0
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Canonical SMILES CN(CC(C1(O)CCCCC1)c1ccc(cc1)O)C
Isomeric SMILES CN(CC(C1(O)CCCCC1)c1ccc(cc1)O)C
InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
SERT Primary target of this compound Hs Inhibitor Inhibition 7.8 pKi - 1
pKi 7.8 (Ki 1.5x10-8 M) [1]
NET Primary target of this compound Hs Inhibitor Inhibition <6.2 pKi - 1
pKi <6.2 (Ki >6.5x10-7 M) [1]
DAT Hs Inhibitor Inhibition <6.1 pKi - 1
pKi <6.1 (Ki >8.54x10-7 M) [1]