NOREPINEPHRINE

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Synonyms
Status
Molecule Category Free-form
ATC C01CA03
UNII X4W3ENH1CV
EPA CompTox DTXSID5023378

Structure

InChI Key SFLSHLFXELFNJZ-QMMMGPOBSA-N
Smiles NC[C@H](O)c1ccc(O)c(O)c1
InChI
InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11NO3
Molecular Weight 169.18
AlogP 0.09
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 12.0

Pharmacology

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
1.2-794.33 16-750 - 4.8-500 18
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 8e - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102.31-112.9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 8e - - -
Cavia porcellus
30-350 - - 30-400 -
Cricetulus griseus
- - - 263.03 102.31-112.9
Homo sapiens
5.5-794.33 - - 63-66 -
Oryctolagus cuniculus
150 - - - -
Rattus norvegicus
52 750 - 17-450 -

Related Entries

Cross References

Resources Reference
ChEBI 18357
ChEMBL CHEMBL1437
DrugBank DB00368
DrugCentral 1960
FDA SRS X4W3ENH1CV
Human Metabolome Database HMDB0000216
Guide to Pharmacology 505
KEGG C00547
PDB LNR
PharmGKB PA450649
PubChem 439260
SureChEMBL SCHEMBL2609
ZINC ZINC000000057624
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