| Compound Information | SONAR Target prediction |
| Name: | Fluoxetine hydrochloride |
| Unique Identifier: | Prest798 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C17ClF3H19NO |
| Molecular Weight: | 326.636 g/mol |
| X log p: | 20.104 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 9.23 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | Cl.CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |
| Generic_name: | Fluoxetine |
| Chemical_iupac_name: | N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-propan-1-amine |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449673 |
| Kegg_compound_id: | C07990 |
| Drugbank_id: | APRD00530 |
| Melting_point: | 179-182oC |
| H2o_solubility: | 50 mg/mL at 25°C |
| Logp: | 5.37 |
| Cas_registry_number: | 54910-89-3 |
| Drug_category: | Antidepressants, Second-Generation; Selective Serotonin Reuptake Inhibitors (SSRIs); ATC:N06AB03 |
| Indication: | For the treatment of depression, obsessive compulsive disorder, and bulimia nervosa. |
| Pharmacology: | Fluoxetine, an antidepressant agent belonging to the selective serotonin reuptake inhibitors (SSRIs), is used to treat depression, bulimia nervosa, premenstrual dysphoric disorder, panic disorder and post-traumatic stress. According to the amines hypothesis, a functional decrease in the activity of amines, such as serotonin and norepinephrine, would result in depression; a functional increase of the activity of these amines would result in mood elevation. Fluoxetine-s effects are thought to be associated with the inhibition of 5HT receptor, which leads to an increase of serotonin level. |
| Mechanism_of_action: | Metabolized to norfluoxetine, fluoxetine is a selective serotonin-reuptake inhibitor (SSRI), it blocks the reuptake of serotonin at the serotonin reuptake pump of the neuronal membrane, enhancing the actions of serotonin on 5HT1A autoreceptors. SSRIs bind with significantly less affinity to histamine, acetylcholine, and norepinephrine receptors than tricyclic antidepressant drugs. |
| Organisms_affected: | Humans and other mammals |
| Found: 1 active | as graph: single | with analogs |
| Species: | 9606 |
| Condition: | TMPPre003 |
| Replicates: | 2 |
| Raw OD Value: r im | 13869.0000±0 |
| Normalized OD Score: sc h | 0.7590±0 |
| Z-Score: | -6.7054±0 |
| p-Value: | 0.0000000000200816 |
| Z-Factor: | -0.589148 |
| Fitness Defect: | 24.6312 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 9 | 1 2 Next >> |
| 3386 | N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
| 62857 | N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride |
| 657320 | hydrogen(+1) cation; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; chloride |
| 1548967 | methyl-[(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium |
| 1548968 | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
| 1548969 | methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 2272 | Additional Members: 9 | Rows returned: 2 |
| Prest266 | 0.517857142857143 |
| SPE01504173 | 0 |
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