ORPHENADRINE

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Synonyms
Status
Molecule Category Free-form
UNII AL805O9OG9
EPA CompTox DTXSID3023396

Structure

InChI Key QVYRGXJJSLMXQH-UHFFFAOYSA-N
Smiles Cc1ccccc1C(OCCN(C)C)c1ccccc1
InChI
InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23NO
Molecular Weight 269.39
AlogP 3.66
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 851.14 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 162.18 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 77.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 851.14 - - 77.6
Rattus norvegicus
- 162.18 - - -

Related Entries

Cross References

Resources Reference
ChEBI 7789
ChEMBL CHEMBL900
DrugBank DB01173
DrugCentral 1999
FDA SRS AL805O9OG9
Human Metabolome Database HMDB0015304
Guide to Pharmacology 7251
KEGG C07935
PharmGKB PA450715
PubChem 4601
SureChEMBL SCHEMBL28727
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