venlafaxine

Ligand id: 7321

Name: venlafaxine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 32.7
Molecular weight 277.2
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1993))
IUPAC Name
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
International Nonproprietary Names
INN number INN
6358 venlafaxine
Synonyms
Effexor® | WY-45030
Database Links
CAS Registry No. 93413-69-5
ChEMBL Ligand CHEMBL637
DrugBank Ligand DB00285
GtoPdb PubChem SID 178103894
PubChem CID 5656
Search Google for chemical match using the InChIKey PNVNVHUZROJLTJ-UHFFFAOYSA-N
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Search PubMed clinical trials venlafaxine
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Search UniChem for chemical match using the InChIKey PNVNVHUZROJLTJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PNVNVHUZROJLTJ
Wikipedia Venlafaxine
Comments
Venlafaxine is a selective serotonin-norepinephrine reuptake inhibitor (SNRI); a bicyclic antidepressant. Venlafaxine is a racemic mixture of R (PubChem CID 9795623) and S (PubChem CID 11846746) stereoisomers, which have assay data in PubChem but its is unclear if these apply to the experimentally separated forms. Marketed formulations may contain venlafaxine hydrochloride (PubChem CID 62923).
The major active metabolite of venlafaxine, desvenlafaxine (O-desmethylvenlafaxine) has also been developed as a drug.