| Compound Information | SONAR Target prediction |
| Name: | TRAZODONE HYDROCHLORIDE |
| Unique Identifier: | SPE01503121 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 385.142 g/mol |
| X log p: | 18.215 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 42.39 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | Cl.Clc1cccc(c1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1 |
| Source: | synthetic |
| Therapeutics: | antidepressant |
| Generic_name: | Trazodone |
| Chemical_iupac_name: | 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,8,9-triazabicyclo[4.3.0]nona-2,4,9- trien-7-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451744 |
| Kegg_compound_id: | C07156 |
| Drugbank_id: | APRD00533 |
| Melting_point: | 86-87 oC |
| H2o_solubility: | Sparigly soluble |
| Logp: | 2.553 |
| Cas_registry_number: | 19794-93-5 |
| Drug_category: | Antidepressants, Second-Generation; Anti-anxiety Agents; Serotonin Uptake Inhibitors; ATC:N06AX05 |
| Indication: | For the treatment of depression. |
| Pharmacology: | Trazodone is an antidepressant and hypnotic chemically unrelated to tricyclic, tetracyclic, or other known antidepressant agents. The mechanism of trazodone-s antidepressant action in man is not fully understood. In animals, trazodone selectively inhibits serotonin uptake by brain synaptosomes and potentiates the behavioral changes induced by the serotonin precursor, 5-hydroxytryptophan. Cardiac conduction effects of trazodone in the anesthetized dog are qualitatively dissimilar and quantitatively less pronounced than those seen with tricyclic antidepressants. Trazodone is not a monoamine oxidase inhibitor and, unlike amphetamine-type drugs, does not stimulate the central nervous system. In man, trazodone is well absorbed after oral administration without selective localization in any tissue. Since the clearance of trazodone from the body is sufficiently variable, in some patients trazodone may accumulate in the plasma. |
| Mechanism_of_action: | Trazodone binds at 5-HT2 receptor, it acts as a serotonin agonist at high doses and a serotonin antagonist at low doses. Like fluoxetine, trazodone-s antidepressant activity likely results from blockage of serotonin reuptake by inhibiting serotonin reuptake pump at the presynaptic neuronal membrane. If used for long time periods, postsynaptic neuronal receptor binding sites may also be affected. The sedative effect of trazodone is likely the result of alpha-adrenergic blocking action and modest histamine blockade at H1 receptor. It weakly blocks presynaptic alpha2-adrenergic receptors and strongly inhibits postsynaptic alpha1 receptors. Trazodone does not affect the reuptake of norepinephrine or dopamine within the CNS. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | BCK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8820±0.0103945 |
| Normalized OD Score: sc h | 0.9619±0.00520881 |
| Z-Score: | -1.9920±0.137017 |
| p-Value: | 0.0473938 |
| Z-Factor: | -0.146449 |
| Fitness Defect: | 3.0493 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 3 |
| 5533 | 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,7,8-triazabicyclo[4.3.0]nona-2,4,6-trien-9-one |
| 62935 | 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,7,8-triazabicyclo[4.3.0]nona-2,4,6-trien-9-one hydrochloride |
| 657357 | 8-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,7,8-triazabicyclo[4.3.0]nona-2,4,6-trien-9-one; hydrogen(+1) cation; chloride |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00559 | 1.0000 |
| active | Cluster 7154 | Additional Members: 18 | Rows returned: 1 |
| KM 08645 | 0.271428571428571 |
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