| Compound Information | SONAR Target prediction |
| Name: | PAROXETINE HYDROCHLORIDE |
| Unique Identifier: | SPE01504085 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 344.659 g/mol |
| X log p: | 16.348 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 27.69 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | Cl.Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1 |
| Source: | synthetic |
| Therapeutics: | antidepressant |
| Generic_name: | Paroxetine |
| Chemical_iupac_name: | 3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4-fluorophenyl)-piperidine |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450801 |
| Kegg_compound_id: | C07415 |
| Drugbank_id: | APRD00364 |
| Melting_point: | 129-131 oC |
| Logp: | 3.369 |
| Cas_registry_number: | 61869-08-7 |
| Drug_category: | Antidepressants; Selective Serotonin Reuptake Inhibitors (SSRIs); ATC:N06AB05 |
| Indication: | For the treatment of depression, depression accompanied by anxiety, obsessive compulsive disorder and panic attacks |
| Pharmacology: | Paroxetine, an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) type, has no active metabolites and has the highest specificity for serotonin receptors of all the SSRIs. It is used to treat depression resistant to other antidepressants, depression complicated by anxiety, panic disorder, social and general anxiety disorder, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder, premature ejaculation, and hot flashes of menopause in women with breast cancer. |
| Mechanism_of_action: | Paroxetine is a potent and highly selective inhibitor of neuronal serotonin reuptake. Paroxetine likely inhibits the reuptake of serotonin at the neuronal membrane, enhances serotonergic neurotransmission by reducing turnover of the neurotransmitter, therefore it prolongs its activity at synaptic receptor sites and potentiates 5-HT in the CNS; paroxetine is more potent than both sertraline and fluoxetine in its ability to inhibit 5-HT reuptake. Compared to the tricyclic antidepressants, SSRIs have dramatically decreased binding to histamine, acetylcholine, and norepinephrine receptors. |
| 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 | 0.8955±0.0154149 |
| Normalized OD Score: sc h | 1.0080±0.0069304 |
| Z-Score: | 0.4336±0.1431 |
| p-Value: | 0.666214 |
| Z-Factor: | -11.4815 |
| Fitness Defect: | 0.4061 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 11 | 1 2 Next >> |
| 4691 | 3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine |
| 43815 | (3S,4R)-3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine |
| 62878 | (3S,4R)-3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine hydrochloride |
| 667572 | (3R,4S)-3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine |
| 934161 | (3S,4S)-3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine |
| 934162 | (3R,4R)-3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 17587 | Additional Members: 2 | Rows returned: 1 |
| Prest1334 | 0 |
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