Compound Detail
CHEMBL894
BUPROPION 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL894 |
| Name | BUPROPION |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | SNPPWIUOZRMYNY-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
15
Targets
56
Activities
2
Assay Types
30
PK Parameters
20
Publications
6
Known Names
20
Indications
Molecular Properties
239.8
MW (Da)
3.30
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1985 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Depressive Disorder Depressive Disorder Depressive Disorder, Major Anxiety Attention Deficit Disorder with Hyperactivity Dementia Depressive Disorder, Treatment-Resistant Obesity Schizophrenia Smoking Cessation Tobacco Use Disorder Alcoholism Amphetamine-Related Disorders Cocaine-Related Disorders Crohn Disease Huntington Disease Marijuana Abuse Restless Legs Syndrome Substance-Related Disorders Substance-Related Disorders
ATC Classification
N06AX12
bupropion
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
IC50 47 meas. best 6.48
Ki 9 meas. best 6.76
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 404.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 274.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 356.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 13.4 | ng.hr.mL-1 | Homo sapiens |
| AUC | 16.1 | ng.hr.mL-1 | Homo sapiens |
| AUC | 12.2 | ng.hr.mL-1 | Homo sapiens |
| AUC | 13.4 | ng.hr.mL-1 | Homo sapiens |
| AUC | 7330.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 10950.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 5829.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 8120.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 9.1 | ng.hr.mL-1 | Homo sapiens |
| AUC | 10.6 | ng.hr.mL-1 | Homo sapiens |
| AUC | 8.4 | ng.hr.mL-1 | Homo sapiens |
| AUC | 9.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 7560.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 11330.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 6100.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 8470.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 318.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 423.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 713.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 866.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1030.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1290.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 303.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1.05 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1.15 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1.06 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1.13 | ng.hr.mL-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 270 |
| - | 10.5281/zenodo.13943903 | ADMET | 88 |
| 18285471 | 10.1128/aac.01600-07 | Homo sapiens | 80 |
| 31158845 | 10.1038/s41586-019-1291-3 | ADMET | 62 |
| 27660681 | 10.1021/acsmedchemlett.6b00189 | ADMET | 25 |
| 19821577 | 10.1021/jm901189z | Rattus norvegicus | 23 |
| 22232427 | 10.1124/dmd.111.042416 | ADMET | 21 |
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 20509659 | 10.1021/jm1003232 | Mus musculus | 6 |
| 21058665 | 10.1021/jm100994w | Mus musculus | 5 |
| 21474681 | 10.1124/dmd.111.038778 | Brain | 5 |
| 36174836 | 10.1016/j.bmcl.2022.129009 | Cytochrome P450 2B6 | 5 |
| - | 10.6019/CHEMBL3301361 | ADMET | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 4 |
| 19764786 | 10.1021/jm901036q | Plasma | 4 |
| 20158204 | 10.1021/jm9017465 | Mus musculus | 4 |
| 19821577 | 10.1021/jm901189z | Mus musculus | 4 |
Data from ChEMBL 36 via Core Engine