levodopa

Ligand id: 3639

Name: levodopa

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 103.78
Molecular weight 197.07
XLogP -2.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: FDA (1993))
IUPAC Name
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
International Nonproprietary Names
INN number INN
2651 levodopa
Synonyms
3,4-dihydroxy-L-phenylalanine | L-DOPA | Sinemet®
Database Links
CAS Registry No. 59-92-7 (source: Scifinder)
ChEBI CHEBI:15765
ChEMBL Ligand CHEMBL1009
DrugBank Ligand DB01235
PubChem CID 6047
RCSB PDB Ligand DAH
Search Google for chemical match using the InChIKey WTDRDQBEARUVNC-LURJTMIESA-N
Search Google for chemicals with the same backbone WTDRDQBEARUVNC
Search PubMed clinical trials levodopa
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Search UniChem for chemical match using the InChIKey WTDRDQBEARUVNC-LURJTMIESA-N
Search UniChem for chemicals with the same backbone WTDRDQBEARUVNC
Wikipedia L-DOPA
Comments
L-DOPA is the precursor to the neurotransmitters dopamine collectively known as catecholamines. Used in the treatment of Parkisons disease. Note a deuterated derivative D3 L-DOPA with enhanced properties is under development.