DESIPRAMINE

Search structure
Synonyms:
Status: Approved (1964)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AA01
UNII: TG537D343B

Structure
InChI Key HCYAFALTSJYZDH-UHFFFAOYSA-N
Smile 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

Primary Target
NET
SERT
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 Potassium channels Voltage-gated potassium channel
- 1380-1514 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 1709-1709 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 1520 - - 80
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 0-130 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1 - - -
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
- 1-4 1 1-580 49
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 26
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 9180-56800 - - 84

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Alcoholism 3 D000437 ClinicalTrials
Gastroesophageal Reflux 3 D005764 ClinicalTrials
Stress Disorders, Post-Traumatic 3 D013313 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Rett Syndrome 2 D015518 ClinicalTrials
Sciatica 2 D012585 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Sleep Apnea, Obstructive 2 D020181 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Erectile Dysfunction 1 D007172 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 50-47-5
ChEBI 47781
ChEMBL CHEMBL72
DrugBank DB01151
DrugCentral 812
EPA CompTox DTXSID6022896
FDA SRS TG537D343B
Human Metabolome Database HMDB0015282
Guide to Pharmacology 2399
KEGG C06943
PDB DSM
PharmGKB PA449233
PubChem 2995
SureChEMBL SCHEMBL34384
ZINC ZINC000001530611
CONTENTS