| Compound Information | SONAR Target prediction |
| Name: | Amitryptiline hydrochloride |
| Unique Identifier: | Prest20 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C20ClH24N |
| Molecular Weight: | 289.673 g/mol |
| X log p: | 20.01 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 3.24 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 1 |
| Rotatable Bond Count: | 3 |
| Canonical Smiles: | Cl.CN(C)CCC=C1c2ccccc2CCc2ccccc21 |
| Generic_name: | Amitriptyline |
| Chemical_iupac_name: | 3-(10,11-dihydro-5H-dibenzo-[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448385 |
| Kegg_compound_id: | C06824 |
| Drugbank_id: | APRD00227 |
| Melting_point: | 196-197 oC |
| H2o_solubility: | 9.7 mg/mL |
| Logp: | 4.612 |
| Isoelectric_point: | 9.4 |
| Cas_registry_number: | 50-48-6 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C50486&Index=0&Type=Mass&Large=on |
| Drug_category: | Analgesics, Non-Narcotic; Antidepressive Agents, Tricyclic; Adrenergic Uptake Inhibitors; ATC:N06AA09 |
| Indication: | For the treatment of anxiety, bipolar disorders, and depression. |
| Pharmacology: | Amitriptyline, a tertiary amine tricyclic antidepressant, is structurally related to both the skeletal muscle relaxant cyclobenzaprine and the thioxanthene antipsychotics such as thiothixene. It is extremely sedating, and thus improvement of sleep patterns can be the first benefit of treatment. Amitriptyline exhibits strong anticholinergic activity, cardiovascular effects including orthostatic hypotension, changes in heart rhythm and conduction, and a lowering of the seizure threshold. As with other antidepressants, several weeks of therapy may be required in order to realize the full clinical benefit of amitriptyline. Although not a labelled indication, amitriptyline is widely used in the management of chronic nonmalignant pain (e.g., post-herpetic neuralgia, fibromyalgia). |
| Mechanism_of_action: | Amitriptyline is metabolized to nortriptyline which inhibits the reuptake of norepinephrine and serotonin almost equally. Amitriptyline inhibits the membrane pump mechanism responsible for uptake of norepinephrine and serotonin in adrenergic and serotonergic neurons. Pharmacologically this action may potentiate or prolong neuronal activity since reuptake of these biogenic amines is important physiologically in terminating transmitting activity. This interference with the reuptake of norepinephrine and/or serotonin is believed by some to underlie the antidepressant activity of amitriptyline. |
| 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 | 10019.0000±0 |
| Normalized OD Score: sc h | 1.0284±0 |
| Z-Score: | 0.6392±0 |
| p-Value: | 0.522692 |
| Z-Factor: | -5.64978 |
| Fitness Defect: | 0.6488 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 12 | << Back 1 2 |
| 171402 |
| 441358 |
| 657214 |
| 657376 |
| 3413420 |
| 5458370 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 1654 | Additional Members: 10 | Rows returned: 2 |
| SPE01500442 | 0.333333333333333 |
| SPE01500117 | 0 |
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