LEVONORDEFRIN

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Synonyms
Status
Molecule Category Free-form
UNII V008L6478D
EPA CompTox DTXSID6046349

Structure

InChI Key GEFQWZLICWMTKF-CDUCUWFYSA-N
Smiles C[C@H](N)[C@H](O)c1ccc(O)c(O)c1
InChI
InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO3
Molecular Weight 183.21
AlogP 0.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 86.71
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-2 agonist AGONIST ISBN Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
776 - - 7.7-205 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 58.62-80.26
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 58.62-80.26
Rattus norvegicus
- - - 7.7 -

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 10304
ChEMBL CHEMBL677
DrugBank DB06707
DrugCentral 4482
FDA SRS V008L6478D
Human Metabolome Database HMDB0015652
Guide to Pharmacology 508
KEGG C11768
PharmGKB PA165958380
PubChem 164739
SureChEMBL SCHEMBL119171
ZINC ZINC000000034157
CONTENTS