ORPHENADRINE

Search structure
Synonyms:
Status: Approved (1957)
Entry Type: Small molecule
Molecule Category: Parent
UNII: AL805O9OG9

Structure
InChI Key QVYRGXJJSLMXQH-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
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(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 24200 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 400 - - -
Enzyme Hydrolase
- - - - -0.6074-6.264
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -74.23--0.85
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- - - 6000 -
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 Acetylcholine receptor
- 125 - 134 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 1895 - 809 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1241-97723.72 - 144 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1121 - 125 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 2666 - 243 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 12600 - - 77.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 65000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Low Back Pain 3 D017116 ClinicalTrials

Related Entries

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 83-98-7
ChEBI 7789
ChEMBL CHEMBL900
DrugBank DB01173
DrugCentral 1999
EPA CompTox DTXSID3023396
FDA SRS AL805O9OG9
Human Metabolome Database HMDB15304
Guide to Pharmacology 7251
KEGG C07935
PharmGKB PA450715
PubChem 4601
SureChEMBL SCHEMBL28727
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