EcoDrugPlus


Synonyms	Edronax Reboxetine
Status
Molecule Category	Free-form
ATC	N06AX18
UNII	947S0YZ36I

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SubStructure

Threshold (%) >= 70


InChI Key	CBQGYUDMJHNJBX-UHFFFAOYSA-N
Smiles	CCOc1ccccc1OC(c1ccccc1)C1CNCCO1
InChI	InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H23NO3
Molecular Weight	313.4
AlogP	3.19
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	39.72
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	23.0

Mechanism of Action	Action	Reference
Norepinephrine transporter inhibitor	INHIBITOR	PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	3-590	-	0.69-503	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	3-590	-	5-129	-
Rattus norvegicus	-	-	-	0.69-503	-

Target Conservation


Protein: Norepinephrine transporter Description: Sodium-dependent noradrenaline transporter Organism : Homo sapiens P23975 ENSG00000103546

Cross References

Resources	Reference
ChEBI	91710
ChEMBL	CHEMBL14370
FDA SRS	947S0YZ36I
Guide to Pharmacology	4808
PubChem	127151
SureChEMBL	SCHEMBL1694155

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

REBOXETINE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References