valbenazine

Ligand id: 8694

Name: valbenazine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 74.02
Molecular weight 418.28
XLogP 3.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl] (2S)-2-amino-3-methylbutanoate
International Nonproprietary Names
INN number INN
9744 valbenazine
Synonyms
Ingrezza® | NBI 98854 | NBI-98854
Database Links
CAS Registry No. 1025504-45-3 (source: WHO INN list)
ChEMBL Ligand CHEMBL2364639
PubChem CID 24795069
Search Google for chemical match using the InChIKey GEJDGVNQKABXKG-CFKGEZKQSA-N
Search Google for chemicals with the same backbone GEJDGVNQKABXKG
Search PubMed clinical trials valbenazine
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Search PubMed titles/abstracts valbenazine
Search UniChem for chemical match using the InChIKey GEJDGVNQKABXKG-CFKGEZKQSA-N
Search UniChem for chemicals with the same backbone GEJDGVNQKABXKG
Comments
Valbenazine is an analogue of tetrabenazine, which similarly selectively inhibits the monoamine transporter SLC18A2 (VMAT2). A search of patent literature reveals valbenazine as example 2-1 in US8357697 B2 [1].