EcoDrugPlus


Trade Names	DESVENLAFAXINE KHEDEZLA
Synonyms	D-veniz Desvenlafaxine Khedezla Mdd-xr Newven O-desmethylvenlafaxine ODV Pristiq
Status
Molecule Category	Free-form
ATC	N06AX23
UNII	NG99554ANW
EPA CompTox	DTXSID40869118

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Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	KYYIDSXMWOZKMP-UHFFFAOYSA-N
Smiles	CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H25NO2
Molecular Weight	263.38
AlogP	2.73
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	43.7
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	19.0

Mechanism of Action	Action	Reference
Norepinephrine transporter inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	60	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	17-538	-	15	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	17-538	-	15	-

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

Environmental Exposure

Countries
USA

Cross References

Resources	Reference
ChEBI	83527
ChEMBL	CHEMBL1118
DrugBank	DB06700
DrugCentral	4380
FDA SRS	NG99554ANW
Human Metabolome Database	HMDB0060532
Guide to Pharmacology	7158
KEGG	D07793
PharmGKB	PA165958374
PubChem	125017
SureChEMBL	SCHEMBL34864
ZINC	ZINC02525885

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DESVENLAFAXINE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Environmental Exposure

Cross References