Molecule Details
| InChIKey | VOVIALXJUBGFJZ-KWVAZRHASA-N |
|---|---|
| Compound Name | Budesonide |
| Canonical SMILES | CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.31 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01222 |
|---|---|
| Drug Name | Budesonide |
| CAS Number | 51333-22-3 |
| Groups | approved investigational |
| ATC Codes | R03AK15 R03AL11 D07AC09 R01AD05 R03AK07 A07EA06 R03BA02 R03AK12 |
| Description | Budesonide is a glucocorticoid that is a mix of the 22R and 22S epimer used to treat inflammatory conditions of the lungs and intestines such as asthma, COPD, Crohn's disease, and ulcerative colitis.[A188529,A188532] Budesonide was granted FDA approval on 14 February 1994.[L10598] It is also availab... |
Categories: Adrenal Cortex Hormones Adrenals Agents to Treat Airway Disease Alimentary Tract and Metabolism Anti-Asthmatic Agents Anti-Inflammatory Agents Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents Autonomic Agents BSEP/ABCB11 Substrates Bronchodilator Agents Corticosteroid Hormone Receptor Agonists Corticosteroids Corticosteroids Acting Locally Corticosteroids for Systemic Use Corticosteroids, Dermatological Preparations Corticosteroids, Potent (Group III) Cytochrome P-450 CYP2A6 Inducers Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Inducers Cytochrome P-450 CYP2C19 Inducers (strength unknown) Cytochrome P-450 CYP2C8 Inducers Cytochrome P-450 CYP2C8 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inducers Cytochrome P-450 CYP3A5 Inducers (moderate) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Dermatologicals Drugs for Obstructive Airway Diseases Drugs that are Mainly Renally Excreted Fused-Ring Compounds Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Immunosuppressive Agents Intestinal Antiinflammatory Agents Nasal Preparations OAT3/SLC22A8 Substrates P-glycoprotein substrates Peripheral Nervous System Agents Pregnanes Pregnenediones Pregnenes Respiratory System Agents Steroids
Cross-references: BindingDB: 50354850 ChEBI: 3207 CHEMBL1370 ChemSpider: 4444479 Drugs Product Database (DPD): 7581 D00246 PharmGKB: PA448681 PubChem:5281004 PubChem:46504869 RxCUI: 19831 Therapeutic Targets Database: DAP000320 Wikipedia: Budesonide
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99576 | TSC22D3 | Homo sapiens | Human | PF01166 | 9.1 | IC50 | BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 8.8 | IC50 | ChEMBL;BindingDB |
| P08235 | NR3C2 | Homo sapiens | Human | PF00104 PF00105 | 7.8 | IC50 | ChEMBL;BindingDB |
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 7.5 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (17)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08185 | SERPINA6 | Corticosteroid-binding globulin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A Subfamily | inducer | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inducer | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | inducer | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | inducer | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inducer | enzymes |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A Subfamily | substrate | enzymes |
| P04150 | NR3C1 | Glucocorticoid receptor | agonist | targets |
| P04083 | P04083 | Annexin A1 | substrate | targets |
| O95342 | ABCB11 | Bile salt export pump | substrate | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |