LEVODOPA

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N04BA01
UNII 46627O600J
EPA CompTox DTXSID9023209

Structure

InChI Key WTDRDQBEARUVNC-LURJTMIESA-N
Smiles N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O
InChI
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11NO4
Molecular Weight 197.19
AlogP 0.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 103.78
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D3 receptor agonist AGONIST PubMed PubMed PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 86.05-90.65
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 21.7
Unclassified protein
- - - - 62-99
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 6-90.65
Escherichia coli
- - - - 62-99
Glycine max
- - - - 23
Homo sapiens
- - - - 21.7-24

Target Conservation

Protein: Dopamine D3 receptor
Description: D(3) dopamine receptor
Organism : Homo sapiens
P35462 ENSG00000151577

Related Entries

Cross References

Resources Reference
ChEBI 57504
ChEMBL CHEMBL1009
DrugBank DB01235
DrugCentral 1567
FDA SRS 46627O600J
Human Metabolome Database HMDB0000181
Guide to Pharmacology 3639
KEGG C00355
PDB DAH
PharmGKB PA450213
PubChem 6047
SureChEMBL SCHEMBL22655
ZINC ZINC000000895199
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