EcoDrugPlus


Trade Names	TETRABENAZINE XENAZINE
Synonyms	NSC-169886 Nitoman RO 1-9569 RO-1-9569 RO-19569 Revocon Tetmodis Tetrabenazine Xenazine Xenazine 25
Status
Molecule Category	Free-form
ATC	N07XX06
UNII	Z9O08YRN8O
EPA CompTox	DTXSID0042614

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SubStructure

Threshold (%) >= 70


InChI Key	MKJIEFSOBYUXJB-UHFFFAOYSA-N
Smiles	COc1cc2c(cc1OC)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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H27NO3
Molecular Weight	317.43
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	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	7-55
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC18 family of vesicular amine transporters	-	-	-	4-54	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	-	-	4	-
Cavia porcellus	-	-	-	-	7-55
Rattus norvegicus	-	-	-	7.62-54	-

Target Conservation


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

Cross References

Resources	Reference
ChEBI	64028
ChEMBL	CHEMBL117785
DrugBank	DB04844
FDA SRS	Z9O08YRN8O
Human Metabolome Database	HMDB0015592
Guide to Pharmacology	4834
KEGG	C11168
PharmGKB	PA140222719
SureChEMBL	SCHEMBL62026
ZINC	ZINC03875393

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

TETRABENAZINE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References