DOXEPIN HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1969)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 3U9A0FE9N5
Parent Compound: DOXEPIN

Structure
InChI Key MHNSPTUQQIYJOT-UHFFFAOYSA-N
Smile CN(C)CCC=C1c2ccccc2COc2ccccc21.Cl
InChI
InChI=1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22ClNO
Molecular Weight 315.84
AlogP 3.96
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Norepinephrine transporter inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stomatitis 3 D013280 ClinicalTrials
Pain 3 D010146 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
17.4
Psychiatric disorders
16.52
Nervous system disorders
14.58
Injury, poisoning and procedural complications
8.62
Immune system disorders
5.59
Cardiac disorders
5.19
Gastrointestinal disorders
5.18
Skin and subcutaneous tissue disorders
4.89
Respiratory, thoracic and mediastinal disorders
4.76
Musculoskeletal and connective tissue disorders
4.26
Investigations
2.98
Vascular disorders
2.4

Cross References

Resources Reference
ChEMBL CHEMBL1628234
FDA SRS 3U9A0FE9N5
SureChEMBL SCHEMBL41532
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