| Compound Information | SONAR 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 Failures | 1 |
| TPSA | 6.48 |
| 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 | 1 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 |
| ps |
| DBLink | Rows returned: 8 | 1 2 Next >> |
| 2801 |
| 31053 |
| 68539 |
| 77140 |
| 451077 |
| 622606 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 17254 | Additional Members: 10 | Rows returned: 1 |
| SPE02300061 | 0.244444444444444 |
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