VENLAFAXINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 7D7RX5A8MO
EPA CompTox DTXSID8047397
Parent Compound: VENLAFAXINE

Structure

InChI Key QYRYFNHXARDNFZ-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 36.1-204 - - 6-68.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 36.1-204 - - 6-68.6

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546
Protein: Serotonin transporter
Description: Sodium-dependent serotonin transporter
Organism : Homo sapiens
P31645 ENSG00000108576

Cross References

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