| Compound Information | SONAR Target prediction | | Name: | Sertraline | | Unique Identifier: | Prest1219 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C17Cl2H17N | | Molecular Weight: | 291.11 g/mol | | X log p: | 15.494 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc12 | | Generic_name: | Sertraline | | Chemical_iupac_name: | 4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine | | Drug_type: | Approved Drug | | Pharmgkb_id: | PA451333 | | Kegg_compound_id: | C07246 | | Drugbank_id: | APRD00175 | | Melting_point: | 243-245oC | | H2o_solubility: | 3.5mg/L | | Logp: | 5.567 | | Cas_registry_number: | 79617-96-2 | | Drug_category: | Antidepressants; Selective Serotonin Reuptake Inhibitors (SSRIs); ATC:N06AB06 | | Indication: | For the treatment of posttraumatic stress disorder, depression, obsessive-compulsive
disorder and panic disorder | | Pharmacology: | Sertraline, an antidepressant drug similar to citalopram, fluoxetine, and
paroxetine, is of the selective serotonin reuptake inhibitor (SSRI) type. Sertraline
has one active metabolite and is used to treat depression, obsessive-compulsive
disorder (OCD), panic disorder, and post-traumatic stress disorder. | | Mechanism_of_action: | It is believed that sertraline inhibits reuptake of serotonin at the neuronal
membrane. SSRIs have less sedative, anticholinergic, and cardiovascular effects than
the tricyclic antidepressant drugs because of decreased binding to histamine,
acetylcholine, and norepinephrine receptors. | | Organisms_affected: | Humans and other mammals |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
663.0000±0 |
| Normalized OD Score: sc h |
0.7609±0 |
| Z-Score: |
-5.3903±0 |
| p-Value: |
0.0000000703272 |
| Z-Factor: |
-2.76586 |
| Fitness Defect: |
16.4701 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 13|F5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.50 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 727.5±605.08760 | | Plate DMSO Control (-): | 773±261.27974 | | Plate Z-Factor: | -83.4256 |
|  png
ps
pdf |
| 5203 |
4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine |
| 54375 |
(1R,4S)-4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine |
| 63009 |
(1S,4R)-4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine hydrochloride |
| 68617 |
(1S,4R)-4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine |
| 451082 |
(1S,4R)-4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine |
| 1616961 |
[(1S,4R)-4-(3,4-dichlorophenyl)tetralin-1-yl]-methyl-azanium |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1690 | Additional Members: 4 | Rows returned: 3 | |
|
