METYROSINE

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Trade Names
Synonyms
Status
Molecule Category UNKNOWN
UNII DOQ0J0TPF7
EPA CompTox DTXSID6023315

Structure

InChI Key NHTGHBARYWONDQ-JTQLQIEISA-N
Smiles C[C@](N)(Cc1ccc(O)cc1)C(=O)O
InChI
InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13NO3
Molecular Weight 195.22
AlogP 0.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 83.55
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 14.0

Bioactivity

Mechanism of Action Action Reference
Tyrosine 3-hydroxylase inhibitor INHIBITOR DailyMed
Protein: Tyrosine 3-hydroxylase
Description: Tyrosine 3-monooxygenase
Organism : Homo sapiens
P07101 ENSG00000180176
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
- - - - 64
Assay Description Organism Bioactivity Reference
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 64.38 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 84.41 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 47.3 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 22.2 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 -0.07738 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.02 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.35 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.02 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.35 %

Related Entries

Cross References

Resources Reference
ChEBI 6912
ChEMBL CHEMBL1200862
DrugBank DB00765
DrugCentral 1792
FDA SRS DOQ0J0TPF7
Human Metabolome Database HMDB0014903
Guide to Pharmacology 6956
KEGG C07921
PharmGKB PA450487
PubChem 441350
SureChEMBL SCHEMBL50398
ZINC ZINC000000000693
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