ESREBOXETINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII L8S50ZY490

Structure

InChI Key CBQGYUDMJHNJBX-OALUTQOASA-N
Smiles CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChI
InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23NO3
Molecular Weight 313.4
AlogP 3.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 39.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1.995-3.1 - 0.3-661 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.995-3.1 - 1.04-661 -
Rattus norvegicus
- 3.1 - - 33

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546

Related Entries

Cross References

Resources Reference
ChEBI 125535
ChEMBL CHEMBL180101
DrugBank DB12395
FDA SRS L8S50ZY490
Human Metabolome Database HMDB0014379
Guide to Pharmacology 4808
PharmGKB PA144614921
PubChem 65856
SureChEMBL SCHEMBL34534
ZINC ZINC000000006923
CONTENTS