DESIPRAMINE HYDROCHLORIDE

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Trade Names
Synonyms
DMI
Status
Molecule Category Salt-form
UNII 1Y58DO4MY1
EPA CompTox DTXSID9046942
Parent Compound: DESIPRAMINE

Structure

InChI Key XAEWZDYWZHIUCT-UHFFFAOYSA-N
Smiles CNCCCN1c2ccccc2CCc2ccccc21.Cl
InChI
InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23ClN2
Molecular Weight 302.85
AlogP 3.53
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 15.27
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 2.5 - 0.65-182 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 55.55-96.51
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 55.55-96.51
Homo sapiens
- - - 0.8 -
Rattus norvegicus
- - - 0.65 -

Target Conservation

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

Cross References

Resources Reference
ChEBI 4449
ChEMBL CHEMBL1696
FDA SRS 1Y58DO4MY1
Guide to Pharmacology 2399
KEGG C06943
PDB DSM
PubChem 65327
SureChEMBL SCHEMBL41992
ZINC ZINC01530611
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