Molecule Details
| InChIKey | RTHCYVBBDHJXIQ-MRXNPFEDSA-N |
|---|---|
| Compound Name | (+)-Fluoxetine |
| Canonical SMILES | CNCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.73 |
| Source | BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08472 |
|---|---|
| Drug Name | (R)-Fluoxetine |
| CAS Number | 100568-03-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has R configuration (the antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine). |
Cross-references: BindingDB: 50136166 ChEBI: 86991 CHEMBL153036 ChemSpider: 1265981 PDB: RFX PubChem:1548970 PubChem:99444943 ZINC: ZINC000001530638
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 8.2 | Ki | BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 8.0 | IC50 | BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 7.3 | IC50 | BindingDB |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 6.9 | IC50 | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.8 | Ki | BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.6 | Ki | BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.3 | IC50 | BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.2 | Ki | BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.1 | IC50 | BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q9Y5K5 | UCHL5 | Homo sapiens | Human | PF01088 PF18031 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O67854 | O67854 | Na(+):neurotransmitter symporter (Snf family) | binder | targets |