METHYLDOPA

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII M4R0H12F6M
EPA CompTox DTXSID5023295

Structure

InChI Key CJCSPKMFHVPWAR-JTQLQIEISA-N
Smiles C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O
InChI
InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13NO4
Molecular Weight 211.22
AlogP 0.44
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 15.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-2 agonist AGONIST FDA PubMed
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
- - - - 103.52-111.32
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 103.52-111.32
Enterococcus faecalis
- - - - 8
Homo sapiens
- - - -

Target Conservation

Protein: Adrenergic receptor alpha-2
Description: Alpha-2A adrenergic receptor
Organism : Homo sapiens
P08913 ENSG00000150594
Protein: Adrenergic receptor alpha-2
Description: Alpha-2B adrenergic receptor
Organism : Homo sapiens
P18089 ENSG00000274286
Protein: Adrenergic receptor alpha-2
Description: Alpha-2C adrenergic receptor
Organism : Homo sapiens
P18825 ENSG00000184160

Related Entries

Cross References

Resources Reference
ChEBI 61058
ChEMBL CHEMBL459
DrugBank DB00968
DrugCentral 1762
FDA SRS M4R0H12F6M
Human Metabolome Database HMDB0011754
Guide to Pharmacology 5217
KEGG C07194
PharmGKB PA450453
PubChem 38852
SureChEMBL SCHEMBL34003
ZINC ZINC000000020255
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