| Compound Information | SONAR Target prediction |
| Name: | Desipramine hydrochloride |
| Unique Identifier: | Prest706 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C18ClH23N2 |
| Molecular Weight: | 279.659 g/mol |
| X log p: | 17.511 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 3.24 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | Cl.CNCCCN1c2ccccc2CCc2ccccc12 |
| 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: 3 nonactive as graph: single | with analogs | << Back 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre002 |
| Replicates: | 2 |
| Raw OD Value: r im | 10325.0000±0 |
| Normalized OD Score: sc h | 1.0276±0 |
| Z-Score: | 0.6227±0 |
| p-Value: | 0.5335 |
| Z-Factor: | -5.1958 |
| Fitness Defect: | 0.6283 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 17 | 1 2 3 Next >> |
| 2995 |
| 3696 |
| 5584 |
| 8228 |
| 65327 |
| 107128 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 17254 | Additional Members: 10 | Rows returned: 1 |
| SPE02300061 | 0.244444444444444 |
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