DESIPRAMINE

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Synonyms
Status
Molecule Category Free-form
ATC N06AA01
UNII TG537D343B
EPA CompTox DTXSID6022896

Structure

InChI Key HCYAFALTSJYZDH-UHFFFAOYSA-N
Smiles CNCCCN1c2ccccc2CCc2ccccc21
InChI
InChI=1S/C18H22N2/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22N2
Molecular Weight 266.39
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- 350 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 80.3
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 0.25-130 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 0.8 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 350 - 160 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 0.93-560 0.83 0.49-580 49
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -4.4-25.9
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 84.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 320-350 80.3
Homo sapiens
- 0.7413-560 0.83 0.92-3.4 -4.4-84.3
Mus musculus
70 - - - 0-23
Rattus norvegicus
- 2-350 - 0.78-163 -50-68
Sus scrofa
- 3.2-420 - - -

Related Entries

Cross References

Resources Reference
ChEBI 47781
ChEMBL CHEMBL72
DrugBank DB01151
DrugCentral 812
FDA SRS TG537D343B
Human Metabolome Database HMDB0015282
Guide to Pharmacology 2399
KEGG C06943
PDB DSM
PharmGKB PA449233
PubChem 2995
SureChEMBL SCHEMBL34384
ZINC ZINC000001530611
CONTENTS