Molecule Details
InChIKeySNPPWIUOZRMYNY-UHFFFAOYSA-N
Compound NameBupropion
Canonical SMILESCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL6.49
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01156
Drug NameBupropion
CAS Number34911-55-2
Groups approved investigational
ATC Codes N06AX62 A08AA62 N06AX12
DescriptionBupropion (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