REBOXETINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06AX18
UNII: 947S0YZ36I

Structure
InChI Key CBQGYUDMJHNJBX-UHFFFAOYSA-N
Smile CCOc1ccccc1OC(c1ccccc1)C1CNCCO1
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

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

Action Mechanism of Action Reference
INHIBITOR Norepinephrine transporter inhibitor PubMed PubMed PubMed
Primary Target
NET
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 3-11 - 9-1400 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Fibromyalgia 3 D005356 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Pain 2 D010146 ClinicalTrials
Attention Deficit Disorder with Hyperactivity 2 D001289 ClinicalTrials
Diabetic Neuropathies 2 D003929 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 71620-89-8
ChEBI 91710
ChEMBL CHEMBL14370
FDA SRS 947S0YZ36I
Guide to Pharmacology 4808
PubChem 127151
SureChEMBL SCHEMBL1694155
CONTENTS