OXPRENOLOL

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Synonyms
Status
Molecule Category Free-form
ATC C07AA02
UNII 519MXN9YZR
EPA CompTox DTXSID1043835

Structure

InChI Key CEMAWMOMDPGJMB-UHFFFAOYSA-N
Smiles C=CCOc1ccccc1OCC(O)CNC(C)C
InChI
InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO3
Molecular Weight 265.35
AlogP 1.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 50.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

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
- - - - 58-58
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 93.33 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 61.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Felis catus
- - - - 58-58
Homo sapiens
- - - - 61.5

Related Entries

Cross References

Resources Reference
ChEBI 91704
ChEMBL CHEMBL546
DrugBank DB01580
DrugCentral 2027
FDA SRS 519MXN9YZR
Human Metabolome Database HMDB0015520
Guide to Pharmacology 7255
PharmGKB PA10284
PubChem 4631
SureChEMBL SCHEMBL16310
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