Molecule Details
| InChIKey | SNPPWIUOZRMYNY-UHFFFAOYSA-N |
|---|---|
| Compound Name | Bupropion |
| Canonical SMILES | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.49 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01156 |
|---|---|
| Drug Name | Bupropion |
| CAS Number | 34911-55-2 |
| Groups | approved investigational |
| ATC Codes | N06AX62 A08AA62 N06AX12 |
| Description | Bupropion (also known as the brand name product Wellbutrin®) is a norepinephrine/dopamine-reuptake inhibitor (NDRI) used most commonly for the management of Major Depressive Disorder (MDD), Seasonal Affective Disorder (SAD), and as an aid for smoking cessation. Bupropion exerts its pharmacological e... |
Categories: Agents that reduce seizure threshold Aminoketone Antidepressants Antidepressive Agents Antidepressive Agents Indicated for Depression Antiobesity Preparations, Excl. Diet Products Central Nervous System Agents Central Nervous System Depressants Centrally Acting Antiobesity Products Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strong) Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Dopamine And Norepinephrine Reuptake Inhibitors Dopamine Uptake Inhibitors Drugs causing inadvertant photosensitivity Drugs that are Mainly Renally Excreted Enzyme Inhibitors Increased Dopamine Activity Increased Norepinephrine Activity Ketones Miscellaneous Antidepressants Nervous System Neurotransmitter Uptake Inhibitors Norepinephrine Uptake Inhibitors OCT2 Inhibitors Photosensitizing Agents Psychoanaleptics Psychotropic Drugs Smoking Cessation Agents
Cross-references: BindingDB: 50048392 ChEBI: 3219 CHEMBL894 ChemSpider: 431 Drugs Product Database (DPD): 11772 C06860 D07591 PharmGKB: PA448687 PubChem:444 PubChem:46506896 RxCUI: 42347 Therapeutic Targets Database: DAP000052 Wikipedia: Bupropion
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 7.9 | IC50 | BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.2 | Ki | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | IC50 | ChEMBL;BindingDB |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | antagonist | carriers |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P32297 | CHRNA3 | Neuronal acetylcholine receptor subunit alpha-3 | antagonist | targets |
| P23975 | SLC6A2 | Sodium-dependent noradrenaline transporter | inhibitor | targets |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | inhibitor | targets |
| Q01959 | SLC6A3 | Sodium-dependent dopamine transporter | inhibitor | targets |
| P46098 | HTR3A | 5-hydroxytryptamine receptor 3A | negative modulator | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |