Molecule Details
| InChIKey | VHGCDTVCOLNTBX-QGZVFWFLSA-N |
|---|---|
| Compound Name | Atomoxetine |
| Canonical SMILES | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.53 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00289 |
|---|---|
| Drug Name | Atomoxetine |
| CAS Number | 83015-26-3 |
| Groups | approved investigational |
| ATC Codes | N06BA09 |
| Description | Atomoxetine is a selective norepinephrine (NE) reuptake inhibitor used for the treatment of attention deficit hyperactivity disorder (ADHD). Also known as the marketed product Strattera, atomoxetine is used with other treatment modalities (psychological, educational, cognitive behaviour therapy, etc... |
Categories: Adrenergic Agents Agents producing tachycardia Agents that produce hypertension Amines Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Membrane Transport Modulators Miscellaneous Central Nervous System Agents Nervous System Neurotransmitter Agents Neurotransmitter Uptake Inhibitors Norepinephrine Reuptake Inhibitor Norepinephrine Uptake Inhibitors Potential QTc-Prolonging Agents Propylamines Psychostimulants, Agents Used for ADHD and Nootropics QTc Prolonging Agents
Cross-references: BindingDB: 50366567 ChEBI: 127342 CHEMBL641 ChemSpider: 49516 Drugs Product Database (DPD): 13584 D07473 PDB: A1LX4 PharmGKB: PA134688071 PubChem:54841 PubChem:46506160 RxCUI: 38400 Therapeutic Targets Database: DAP000721 Wikipedia: Atomoxetine ZINC: ZINC000001842633
Target Activities (2)
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P12314 | P12314 | High affinity immunoglobulin gamma Fc receptor I | binder | carriers |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q05586 | GRIN1 | NMDA receptor | blocker | targets |
| P23975 | SLC6A2 | Sodium-dependent noradrenaline transporter | inhibitor | targets |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | inhibitor | targets |
| P48549 | KCNJ3 | G protein-activated inward rectifier potassium channel 1 | inhibitor | targets |
| P41145 | OPRK1 | Kappa-type opioid receptor | partial agonist | targets |