EcoDrugPlus


Synonyms	Austedo Deutetrabenazine Dutetrabenazine SD-809
Status
Molecule Category	Free-form

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SubStructure

Threshold (%) >= 70


InChI Key	MKJIEFSOBYUXJB-LIJFRPJRSA-N
Smiles	[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1CC(=O)C(CC(C)C)CN1CC2
InChI	InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/i3D3,4D3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H27NO3
Molecular Weight	323.47
AlogP	3.24
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	38.77
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	23.0

Mechanism of Action	Action	Reference
Synaptic vesicular amine transporter inhibitor	INHIBITOR	FDA

Target Conservation


Protein: Synaptic vesicular amine transporter Description: Synaptic vesicular amine transporter Organism : Homo sapiens Q05940 ENSG00000165646

Cross References

Resources	Reference
ChEMBL	CHEMBL3137326
DrugCentral	5226
SureChEMBL	SCHEMBL13321841

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

DUTETRABENAZINE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References