VENLAFAXINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 7D7RX5A8MO
Parent Compound: VENLAFAXINE

Structure
InChI Key QYRYFNHXARDNFZ-UHFFFAOYSA-N
Smile COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl
InChI
InChI=1S/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28ClNO2
Molecular Weight 313.87
AlogP 3.04
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 32.7
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Norepinephrine transporter inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 36-5720 - - 9-69

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Anxiety Disorders 4 D001008 ClinicalTrials
Parkinson Disease 3 D010300 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder, Treatment-Resistant 3 D061218 ClinicalTrials
Hot Flashes 3 D019584 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Prostatic Neoplasms 3 D011471 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Obsessive-Compulsive Disorder 3 D009771 ClinicalTrials
Neck Pain 2 D019547 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Meniere Disease 2 D008575 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials
Sleep Apnea, Obstructive 2 D020181 ClinicalTrials
Spinal Cord Injuries 2 D013119 ClinicalTrials
Fibromyalgia 1 D005356 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
18.65
Nervous system disorders
15.49
General disorders and administration site conditions
14.89
Injury, poisoning and procedural complications
6.82
Cardiac disorders
5.69
Gastrointestinal disorders
4.9
Vascular disorders
4.5
Musculoskeletal and connective tissue disorders
3.66
Investigations
3.09
Respiratory, thoracic and mediastinal disorders
3.07
Skin and subcutaneous tissue disorders
3.03
Pregnancy, puerperium and perinatal conditions
2.22
Congenital, familial and genetic disorders
2.07

Cross References

Resources Reference
ChEBI 9944
ChEMBL CHEMBL1201066
EPA CompTox DTXSID8047397
FDA SRS 7D7RX5A8MO
PubChem 62923
SureChEMBL SCHEMBL41936
ZINC ZINC00006016
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