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Compound InformationSONAR Target prediction
Name:

Clomipramine hydrochloride

Unique Identifier:Prest72
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19Cl2H24N2
Molecular Weight:327.122 g/mol
X log p:16.31  (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)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Generic_name:Clomipramine
Drug_type:Approved Drug
Pharmgkb_id:PA449048
Kegg_compound_id:C06918
Drugbank_id:APRD00253
Melting_point:189.5 oC
H2o_solubility:0.294 mg/L
Logp:4.803
Cas_registry_number:303-49-1
Drug_category:Antidepressive Agents, Tricyclic; Serotonin Uptake Inhibitors; ATC:N06AA04
Indication:For the treatment of depression, obsessive compulsive disorder (OCD), panic attacks
with or without agoraphobia, narcolepsy, chronic pain, and enuresis.
Pharmacology:Clomipramine, a tricyclic antidepressant, is the 3-chloro derivative of Imipramine.
It was thought that tricylic antidepressants work exclusively by inhibiting the
re-uptake of the neurotransmitters norepinephrine and serotonin by nerve cells.
However, this response occurs immediately, yet mood does not lift for around two
weeks. It is now thought that changes occur in receptor sensitivity in the cerebral
cortex and hippocampus. The hippocampus is part of the limbic system, a part of the
brain involved in emotions. Presynaptic receptors are affected: alpha-1 and beta-1
receptors are sensitized, alpha-2 receptors are desensitized (leading to increased
noradrenaline production). Tricyclics are also known as effective analgesics for
different types of pain, especially neuropathic or neuralgic pain.
Mechanism_of_action:Clomipramine is a strong, but not completely selective Serotonic-Reuptake-Inhibitor
(SRI), as the active main metabolite desmethyclomipramine acts preferably as an
inhibitor of Noradrenaline-Reuptake. Alpha-1-Receptor blockage and
beta-down-regulation have been noted and most likely play a role in the short term
effects of clomipramine. A blockade of sodium-channels and NDMA-receptors might, as
with other tricyclics, account for its effect in chronic pain, in particular the
neuropathic type.
Organisms_affected:Humans and other mammals

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2132.0000±0
Normalized OD Score: sc h 1.0424±0
Z-Score: 0.9551±0
p-Value: 0.339518
Z-Factor: -4.20551
Fitness Defect: 1.0802
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:4|C10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.70 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1024±959.34887
Plate DMSO Control (-):2047±547.49039
Plate Z-Factor:-4.6829
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DBLink | Rows returned: 82 Next >> 
2801
31053
68539
77140
451077
622606

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 17254 | Additional Members: 10 | Rows returned: 82 Next >> 
LOPAC 00508 0.372093023255814
SPE01500227 0.372093023255814
Prest706 0.372093023255814
SPE02300061 0.244444444444444
LOPAC 00500 0.244444444444444
LOPAC 00511 0

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