Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

IMIPRAMINE HYDROCHLORIDE

Unique Identifier:SPE01500348
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:291.669 g/mol
X log p:17.67  (online calculus)
Lipinksi Failures1
TPSA6.48
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:Cl.CN(C)CCCN1c2ccccc2CCc2ccccc12
Source:synthetic
Therapeutics:antidepressant
Generic_name:Desipramine
Drug_type:Approved Drug
Pharmgkb_id:PA449233
Kegg_compound_id:C06943
Drugbank_id:APRD00022
Melting_point:214-218 oC
Logp:3.87
Cas_registry_number:50-47-5
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C50475&Index=0&Type=Mass&Large=on
Drug_category:Antidepressants; Norepinephrine-Reuptake Inhibitors; ATC:N06AA01
Indication:For relief of symptoms in various depressive syndromes, especially endogenous
depression.
Pharmacology:Desipramine, a tertiary amine tricyclic antidepressant, is structurally related to
both the skeletal muscle relaxant cyclobenzaprine and the thioxanthene
antipsychotics such as thiothixene. Desipramine is used to treat depression, pain of
neuropathic origin, attention_deficit hyperactivity disorder, functional enuresis in
children, panic and phobic disorder, and to manage some eating disorders.
Desipramine inhibits the re-uptake of noradrenaline at the noradrenergic nerve
endings and the re-uptake of serotonin (5-hydroxy tryptamine) at the serotoninergic
nerve endings in the central nervous system. These two effects are considered to be
the likely base of the antidepressant effect of Desipramine. The drug also has a
strong anticholinergic effect and serves as an antagonist on a1 and H1 receptors.
Mechanism_of_action:Desipramine is a tricyclic antidepressant that selectively blocks reuptake of
norepinephrine (noradrenaline) from the neural synapse. It also appears to impair
serotonin transport. Desipramine also possesses minor anticholinergic activity,
through its affinity to muscarinic receptors. Evidence also suggests that
Desiprmaine binds to and down regulates histamine and beta adrenergic receptors.
Tricyclic drugs are believed to act by restoring normal levels of neurotransmitters
by blocking the re-uptake of these substances from the synapse in the central
nervous system.
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.9277±0.0173948
Normalized OD Score: sc h 0.9422±0.0247207
Z-Score: -0.4127±0.482334
p-Value: 0.696924
Z-Factor: -1.57082
Fitness Defect: 0.3611
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:3|D6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.002275±0.00443
Plate DMSO Control (-):0.9977±0.02678
Plate Z-Factor:0.9195
png
ps
pdf

DBLink | Rows returned: 17<< Back 1 2 3 Next >> 
160632
161200
450814
451081
657207
657326

internal high similarity DBLink | Rows returned: 6
LOPAC 00500 0.9029
RJC 01223 0.9029
SPE02300061 0.9029
LOPAC 00508 1.0000
LOPAC 00511 1.0000
SPE01500227 1.0000

active | Cluster 17254 | Additional Members: 10 | Rows returned: 1
SPE02300061 0.244444444444444

Service provided by the Mike Tyers Laboratory