VENLAFAXINE


Synonyms	Alventa xl Amphero xl Bonilux xl Depefex xl Efectin Efexor Efexor xl Effexor Foraven xl Kanghong Mentaven xl NSC-758676 Politid xl Ranfaxine xl Rodomel xl
Status
Molecule Category	Free-form
ATC	N06AX16
UNII	GRZ5RCB1QG
EPA CompTox	DTXSID6023737


InChI Key	PNVNVHUZROJLTJ-UHFFFAOYSA-N
Smiles	COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChI	InChI=1S/C17H27NO2/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

Property Name	Value
Molecular Formula	C17H27NO2
Molecular Weight	277.41
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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6	-	-	-	-	0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	90-140	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	20-760	8.9	11-719	6-92

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	20-680	-	11-385	0-92
Mus musculus	-	-	-	-	70.2-82.3
Rattus norvegicus	-	210-640	-	25	14

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia
Sweden
USA

Resources	Reference
ChEBI	9943
ChEMBL	CHEMBL637
DrugBank	DB00285
DrugCentral	2813
FDA SRS	GRZ5RCB1QG
Human Metabolome Database	HMDB0005016
Guide to Pharmacology	7321
KEGG	C07187
PharmGKB	PA451866
PubChem	5656
SureChEMBL	SCHEMBL35154

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

VENLAFAXINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Environmental Exposure

Cross References