methyltyrosine

Ligand id: 5094

Name: methyltyrosine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 83.55
Molecular weight 195.09
XLogP -1.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1979))
IUPAC Name
2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
International Nonproprietary Names
INN number INN
4292 racemetirosine
Synonyms
Demser® | DL-alpha-methyltyrosine | metyrosine
Database Links
CAS Registry No. 672-87-7
ChEMBL Ligand CHEMBL1330596
GtoPdb PubChem SID 178101787
PubChem CID 3125
Search Google for chemical match using the InChIKey NHTGHBARYWONDQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NHTGHBARYWONDQ
Search PubMed clinical trials racemetirosine
Search PubMed titles racemetirosine
Search PubMed titles/abstracts racemetirosine
Search UniChem for chemical match using the InChIKey NHTGHBARYWONDQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NHTGHBARYWONDQ
Wikipedia AMPT
Comments
The INN for this compound is racemetirosine, indicating that it is a racemic mix of its R and S enantiomers. We show the non-isomeric structure to represent this mixture. The website rxlist.com describes the approved drug, Demser, as (-)-α-methyl-L-tyrosine, but shows a non-stereo molecular structure. We have annotated both versions (racemic and S-enantiomer (L or α) with the same US FDA approval date, as the exact compostion of the approved drug is unclear.